1.0 2011-09-21 01:52:33 UTC 2015-07-21 06:59:40 UTC FDB029246 Neuromedin B NMB acts by binding to its high affinity cell surface receptor, neuromedin B receptor (NMBR). This receptor is a G protein-coupled receptor with seven transmembrane spanning regions, hence the receptor is also denoted as a 7 transmembrane receptor (7-TMR). Upon binding several intracellular signaling pathways are triggered (see Figure 2).; Neuromedin B (NMB) is a bombesin-related peptide in mammals. It was originally purified from pig spinal cord, and later shown to be present in human central nervous system and gastrointestinal tract. [HMDB] Gly-Asn-Leu-Trp-Ala-Thr-Gly-His-Phe-Met-NH2 C52H73N15O12S 1132.294 1131.528383565 (2S)-2-[(2R)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-(C-hydroxycarbonimidoyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanimidic acid (2S)-2-[(2R)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-(C-hydroxycarbonimidoyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanimidic acid 87096-84-2 CSCC[C@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(O)=N)NC(=O)CN)[C@@H](C)O)C(O)=N InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29-,35+,36+,37-,38-,39+,40-,44+/m1/s1 YPFNACALNKVZNK-ICQOWDAWSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds 3-alkylindoles Alanine and derivatives Alpha amino acid amides Amphetamines and derivatives Aralkylamines Azacyclic compounds Carbonyl compounds Dialkylthioethers Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazoles Methionine and derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Phenylalanine and derivatives Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Substituted pyrroles Sulfenyl compounds Tryptamines and derivatives 3-alkylindole Alanine or derivatives Alcohol Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Carbonyl group Carboxamide group Dialkylthioether Fatty acyl Fatty amide Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Indole Indole or derivatives Methionine or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-amine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Primary carboxylic acid amide Pyrrole Secondary alcohol Secondary carboxylic acid amide Substituted pyrrole Sulfenyl compound Thioether Triptan Solid logp 0.39 ALOGPS logs -4.97 ALOGPS solubility 1.20e-02 g/l ALOGPS logp -8.2 ChemAxon pka_strongest_acidic -1.8 ChemAxon pka_strongest_basic 13.12 ChemAxon iupac (2S)-2-[(2R)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-(C-hydroxycarbonimidoyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanimidic acid ChemAxon average_mass 1132.294 ChemAxon mono_mass 1131.528383565 ChemAxon smiles CSCC[C@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(O)=N)NC(=O)CN)[C@@H](C)O)C(O)=N ChemAxon formula C52H73N15O12S ChemAxon inchi InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29-,35+,36+,37-,38-,39+,40-,44+/m1/s1 ChemAxon inchikey YPFNACALNKVZNK-ICQOWDAWSA-N ChemAxon polar_surface_area 440.78 ChemAxon refractivity 312.78 ChemAxon polarizability 116.85 ChemAxon rotatable_bond_count 33 ChemAxon acceptor_count 16 ChemAxon donor_count 17 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 98458 Specdb::NmrOneD 98459 Specdb::NmrOneD 98460 Specdb::NmrOneD 98461 Specdb::NmrOneD 98462 Specdb::NmrOneD 98463 Specdb::NmrOneD 98464 Specdb::NmrOneD 98465 Specdb::NmrOneD 98466 Specdb::NmrOneD 98467 Specdb::NmrOneD 98468 Specdb::NmrOneD 98469 Specdb::NmrOneD 98470 Specdb::NmrOneD 98471 Specdb::NmrOneD 98472 Specdb::NmrOneD 98473 Specdb::NmrOneD 98474 Specdb::NmrOneD 98475 Specdb::NmrOneD 98476 Specdb::NmrOneD 98477 Specdb::MsMs 289633 Specdb::MsMs 289634 Specdb::MsMs 289635 Specdb::MsMs 329101 Specdb::MsMs 329102 Specdb::MsMs 329103 Specdb::MsMs 2413864 Specdb::MsMs 2413865 Specdb::MsMs 2413866 Specdb::MsMs 2552684 Specdb::MsMs 2552685 Specdb::MsMs 2552686 HMDB13018