SEQ2FUN

BioLiP

PDB CCD ID: RVH
Number of entries in BioLiP: 6
Chemical formula: C18 H16 N4 O2
InChI: InChI=1S/C18H16N4O2/c1-11(22-10-12-6-2-3-7-13(12)17(22)24)16(23)21-18-19-14-8-4-5-9-15(14)20-18/h2-9,11H,10H2,1H3,(H2,19,20,21,23)/t11-/m1/s1
InChIKey: PWSSISUOJZBZFT-LLVKDONJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](N1Cc2ccccc2C1=O)C(=O)Nc3[nH]c4ccccc4n3
OpenEye OEToolkits 3.1.0.0CC(C(=O)Nc1[nH]c2ccccc2n1)N3Cc4ccccc4C3=O
CACTVS 3.385C[C@@H](N1Cc2ccccc2C1=O)C(=O)Nc3[nH]c4ccccc4n3
OpenEye OEToolkits 3.1.0.0C[C@H](C(=O)Nc1[nH]c2ccccc2n1)N3Cc4ccccc4C3=O
Name:(2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide
ZINC: ZINC000036579810
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).