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BioLiP

PDB CCD ID: 566
Number of entries in BioLiP: 1
Chemical formula: C17 H22 N2 O2
InChI: InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1
InChIKey: BVUSHGJZBZMDML-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)C2CC(=O)N(C2)C3CCCCC3
ACDLabs 10.04O=C3N(C1CCCCC1)CC(C(=O)Nc2ccccc2)C3
CACTVS 3.341O=C1C[CH](CN1C2CCCCC2)C(=O)Nc3ccccc3
CACTVS 3.341O=C1C[C@@H](CN1C2CCCCC2)C(=O)Nc3ccccc3
Name:(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE
DrugBank: DB07155
ZINC: ZINC000002943677
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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