BioLiP

PDB

BioLiP

PDB CCD ID:

INY

Number of entries in BioLiP:

Chemical formula:

C15 H18 Cl3 N O

InChI:

InChI=1/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/f/h19H

InChIKey:

RXDMAYSSBPYBFW-BKNKQNNZDK

SMILES:

Software	SMILES
CACTVS 3.341	CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)c2ccc(Cl)cc2
CACTVS 3.341	CC[C]1([CH](C)C1(Cl)Cl)C(=O)N[CH](C)c2ccc(Cl)cc2
OpenEye OEToolkits 1.5.0	CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl
OpenEye OEToolkits 1.5.0	CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)c2ccc(cc2)Cl
ACDLabs 10.04	O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl

Name:

CARPROPAMIDE

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).