BioLiP

PDB

BioLiP

PDB CCD ID:

KTR

Number of entries in BioLiP:

Chemical formula:

C15 H13 N O3

InChI:

InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1

InChIKey:

OZWKMVRBQXNZKK-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C(=O)c2ccc3n2CC[C@H]3C(=O)O
CACTVS 3.370	OC(=O)[CH]1CCn2c1ccc2C(=O)c3ccccc3
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C(=O)c2ccc3n2CCC3C(=O)O
CACTVS 3.370	OC(=O)[C@@H]1CCn2c1ccc2C(=O)c3ccccc3
ACDLabs 12.01	O=C(O)C3c2ccc(C(=O)c1ccccc1)n2CC3

Name:

(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;
Ketorolac

ChEMBL:

CHEMBL1619630

ZINC:

ZINC000000002279

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).