BioLiP

PDB

BioLiP

PDB CCD ID:

2VG

Number of entries in BioLiP:

Chemical formula:

C13 H12 Cl N O2

InChI:

InChI=1S/C13H12ClNO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)/t7-/m1/s1

InChIKey:

NXJTUXDOUWMCMQ-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc2c(cc1Cl)c3c([nH]2)CC(CC3)C(=O)O
CACTVS 3.385	OC(=O)[C@@H]1CCc2c(C1)[nH]c3ccc(Cl)cc23
OpenEye OEToolkits 1.7.6	c1cc2c(cc1Cl)c3c([nH]2)C[C@@H](CC3)C(=O)O
ACDLabs 12.01	O=C(O)C3CCc2c1c(ccc(Cl)c1)nc2C3
CACTVS 3.385	OC(=O)[CH]1CCc2c(C1)[nH]c3ccc(Cl)cc23

Name:

(2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

ChEMBL:

CHEMBL3577268

ZINC:

ZINC000075757981

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).