SEQ2FUN

BioLiP

PDB CCD ID: CRP
Number of entries in BioLiP: 4
Chemical formula: C15 H18 Cl3 N O
InChI: InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1
InChIKey: RXDMAYSSBPYBFW-RULNRJAQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)c2ccc(Cl)cc2
CACTVS 3.341CC[C]1([CH](C)C1(Cl)Cl)C(=O)N[CH](C)c2ccc(Cl)cc2
OpenEye OEToolkits 1.5.0CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl
OpenEye OEToolkits 1.5.0CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)c2ccc(cc2)Cl
ACDLabs 10.04O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl
Name:((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE;
CARPROPAMID
ChEMBL: CHEMBL147792
DrugBank: DB02946
ZINC: ZINC000006424732
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).