BioLiP

PDB

BioLiP

PDB CCD ID:

OIC

Number of entries in BioLiP:

Chemical formula:

C9 H15 N O2

InChI:

InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1

InChIKey:

CQYBNXGHMBNGCG-FXQIFTODSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O
CACTVS 3.370	OC(=O)[CH]1C[CH]2CCCC[CH]2N1
CACTVS 3.370	OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1
OpenEye OEToolkits 1.7.0	C1CCC2C(C1)CC(N2)C(=O)O
ACDLabs 12.01	O=C(O)C1NC2CCCCC2C1

Name:

OCTAHYDROINDOLE-2-CARBOXYLIC ACID

DrugBank:

DB03409

ZINC:

ZINC000004899687

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).