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Name | Gastrin/cholecystokinin type B receptor |
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Species | Homo sapiens (Human) |
Gene | CCKBR |
Synonym | CCK-B receptor CCK-B receptor {ECO:0000303|PubMed:8415658} CCK-B/gastrin receptor CCK-BR gastrin/cholecystokinin type B receptor [ Show all ] |
Disease | Diagnostic imaging Duodenal ulcers Gastroesophageal reflux disease Gastrointestinal disease Intestine cancer [ Show all ] |
Length | 447 |
Amino acid sequence | MELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITLYAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWLLSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGLISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRSRPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRALPDEDPPTPSIASLSRLSYTTISTLGPG |
UniProt | P32239 |
Protein Data Bank | N/A |
GPCR-HGmod model | P32239 |
3D structure model | This predicted structure model is from GPCR-EXP P32239. |
BioLiP | N/A |
Therapeutic Target Database | T05849 |
ChEMBL | CHEMBL298 |
IUPHAR | 77 |
DrugBank | BE0001158 |
Name | CHEMBL384035 |
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Molecular formula | C52H69N9O15S |
IUPAC name | (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid |
Molecular weight | 1092.23 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 11 |
XlogP | 4.0 |
Synonyms | 3-{2-[2-(2-{2-[2-(tert-Butoxycarbonyl-methyl-amino)-3-(4-sulfonyl-oxy-phenyl)-propionylamino]-hexanoylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid Boc-Tyr(SO3H)-Nle-Gly-Trp-Nle-Asp-Phe-NH2 L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl-L-norleucylglycyl-L-tryptophyl-L-norleucyl-L-alpha-aspartyl- 98640-66-5 tert-Butyloxycarbonyl-28,31-nle-cholecystokinin (27-33) [ Show all ] |
Inchi Key | CSXIDZJPJYRGSK-UJKKYYSESA-N |
Inchi ID | InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1 |
PubChem CID | 3086453 |
ChEMBL | CHEMBL384035 |
IUPHAR | N/A |
BindingDB | 50016425 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.2 nM | PMID7692048 | ChEMBL |
IC50 | 0.2 nM | PMID7692048 | BindingDB |
IC50 | 0.29 nM | , PMID7692048 | BindingDB |
IC50 | 0.29 nM | Bioorg. Med. Chem. Lett., (1993) 3:5:851, PMID7692048 | ChEMBL |
Ki | 0.23 nM | PMID2724293 | BindingDB,ChEMBL |
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