(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,34Z,37S)-2,17-bis(4-aminobutyl)-5-(2-amino-2-oxoethyl)-37-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-8,11,23-tribenzyl-20,26-bis[(1R)-1-hydroxyethyl]-29-(hydroxymethyl)-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,24,27,30,38-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclooctatriacont-34-ene-32-carboxamide

InChIKey	`GRXMDPIKHIFDPV-APLWEPAHSA-N`
Compound Name	(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,34Z,37S)-2,17-bis(4-aminobutyl)-5-(2-amino-2-oxoethyl)-37-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-8,11,23-tribenzyl-20,26-bis[(1R)-1-hydroxyethyl]-29-(hydroxymethyl)-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,24,27,30,38-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclooctatriacont-34-ene-32-carboxamide
Canonical SMILES	`C[C@H](N)C(=O)NCC(=O)N[C@H]1C/C=C\C[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Homologous
Avg pChEMBL	9.15
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P35346	SSTR5	Homo sapiens	Human	PF00001	9.7	Ki	ChEMBL;BindingDB
P30872	SSTR1	Homo sapiens	Human	PF00001	9.5	Ki	ChEMBL;BindingDB
P30874	SSTR2	Homo sapiens	Human	PF00001	9.4	Ki	ChEMBL;BindingDB
P31391	SSTR4	Homo sapiens	Human	PF00001	8.8	Ki	ChEMBL;BindingDB
P32745	SSTR3	Homo sapiens	Human	PF00001	8.4	Ki	ChEMBL;BindingDB