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BioLiP

PDB CCD ID: ZAM
Number of entries in BioLiP: 2
Chemical formula: C22 H26 N4 O2
InChI: InChI=1S/C22H26N4O2/c1-15(27)24(2)13-18-11-17(9-10-20(18)23)22(28)25(3)14-19-12-16-7-5-6-8-21(16)26(19)4/h5-12H,13-14,23H2,1-4H3
InChIKey: AWTBJNJPBKTHEV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C)C(C)=O
OpenEye OEToolkits 1.5.0CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C
ACDLabs 10.04O=C(N(C)Cc1c(N)ccc(c1)C(=O)N(C)Cc3cc2ccccc2n3C)C
Name:3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE
ChEMBL: CHEMBL109420
DrugBank: DB03534
ZINC: ZINC000000591143
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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