SEQ2FUN

BioLiP

PDB CCD ID: NVP
Number of entries in BioLiP: 0
Chemical formula: C15 H14 N4 O
InChI: InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
InChIKey: NQDJXKOVJZTUJA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12
ACDLabs 10.04O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C
OpenEye OEToolkits 1.5.0Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4
Name:11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE;
NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE
ChEMBL: CHEMBL57
DrugBank: DB00238
ZINC: ZINC000000004778
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).