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BioLiP

PDB CCD ID: UOF
Number of entries in BioLiP: 2
Chemical formula: C18 H16 Cl2 N2 O3
InChI: InChI=1S/C18H16Cl2N2O3/c19-12-9-13(20)16(11-5-2-1-3-6-11)14(10-12)21-18(25)22-8-4-7-15(22)17(23)24/h1-3,5-6,9-10,15H,4,7-8H2,(H,21,25)(H,23,24)/t15-/m1/s1
InChIKey: WDPIFBOVEHBEDQ-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCC[C@@H]3C(=O)O
ACDLabs 12.01OC(=O)C1CCCN1C(=O)Nc1cc(Cl)cc(Cl)c1c1ccccc1
CACTVS 3.385OC(=O)[C@H]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCCC3C(=O)O
CACTVS 3.385OC(=O)[CH]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3
Name:1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
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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