SEQ2FUN

BioLiP

PDB CCD ID: 251
Number of entries in BioLiP: 1
Chemical formula: C19 H18 N4 O
InChI: InChI=1S/C19H18N4O/c20-19(21)22-18(24)13-23-16(14-7-3-1-4-8-14)11-12-17(23)15-9-5-2-6-10-15/h1-12H,13H2,(H4,20,21,22,24)
InChIKey: WVLDNAVUCUAGDP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3
CACTVS 3.341NC(=N)NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3
OpenEye OEToolkits 1.5.0[H]N=C(N)NC(=O)Cn1c(ccc1c2ccccc2)c3ccccc3
ACDLabs 10.04O=C(NC(=[N@H])N)Cn2c(ccc2c1ccccc1)c3ccccc3
Name:N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
ChEMBL: CHEMBL217068
DrugBank: DB06930
ZINC: ZINC000014962105

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).