(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(6S,9S,13S)-9-[(2S)-butan-2-yl]-13-[[(2S)-5-carbamimidamido-2-[[3-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]-3-oxopropyl]amino]pentanoyl]amino]-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanediamide

InChIKey	`XCVIXZRNZRDCKE-VCZGOYMNSA-N`
Compound Name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(6S,9S,13S)-9-[(2S)-butan-2-yl]-13-[[(2S)-5-carbamimidamido-2-[[3-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]-3-oxopropyl]amino]pentanoyl]amino]-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradecane-3-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanediamide
Canonical SMILES	`CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCC(=O)NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)NCC(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)[C@H](CC(C)C)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	6.78
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P03372	ESR1	Homo sapiens	Human	PF12743 PF00104 PF02159 PF00105	7.1	Kd	ChEMBL;BindingDB
P06401	PGR	Homo sapiens	Human	PF00104 PF02161 PF00105	6.8	Kd	ChEMBL;BindingDB
P11473	VDR	Homo sapiens	Human	PF00104 PF00105	6.7	Kd	ChEMBL;BindingDB
Q92731	ESR2	Homo sapiens	Human	PF12497 PF00104 PF00105	6.6	Kd	ChEMBL;BindingDB