BioLiP

PDB

BioLiP

PDB CCD ID:

KL3

Number of entries in BioLiP:

Chemical formula:

C17 H15 Cl O2

InChI:

InChI=1S/C17H15ClO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-15(17(19)20)16(12)10-13/h4-10,15H,1-3H2,(H,19,20)/t15-/m1/s1

InChIKey:

HMSUYCUFTVOQJG-OAHLLOKOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCCc2ccc(cc12)c3ccc(Cl)cc3
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2ccc3c(c2)C(CCC3)C(=O)O)Cl
CACTVS 3.385	OC(=O)[C@H]1CCCc2ccc(cc12)c3ccc(Cl)cc3
ACDLabs 12.01	Clc1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2ccc3c(c2)[C@H](CCC3)C(=O)O)Cl

Name:

(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

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).