BioLiP

PDB

BioLiP

PDB CCD ID:

YPA

Number of entries in BioLiP:

Chemical formula:

C25 H25 N O4

InChI:

InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1

InChIKey:

WUZIMDSVRIBNNI-DEOSSOPVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c4ccccc24)cc1)C(O)=O
CACTVS 3.341	CCO[CH](Cc1ccc(OCCn2c3ccccc3c4ccccc24)cc1)C(O)=O
OpenEye OEToolkits 1.5.0	CCOC(Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O
OpenEye OEToolkits 1.5.0	CCO[C@@H](Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O
ACDLabs 10.04	O=C(O)C(OCC)Cc4ccc(OCCn3c1ccccc1c2c3cccc2)cc4

Name:

(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY-PROPIONIC ACID

ChEMBL:

CHEMBL86658

DrugBank:

DB04270

ZINC:

ZINC000001910340

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).