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BioLiP

PDB CCD ID: KTR
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(=O)c2ccc3n2CC[C@H]3C(=O)O
CACTVS 3.370OC(=O)[CH]1CCn2c1ccc2C(=O)c3ccccc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(=O)c2ccc3n2CCC3C(=O)O
CACTVS 3.370OC(=O)[C@@H]1CCn2c1ccc2C(=O)c3ccccc3
ACDLabs 12.01O=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, Peter L 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).

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