SEQ2FUN

BioLiP

PDB CCD ID: NW6
Number of entries in BioLiP: 2
Chemical formula: C14 H11 N3 O3 S
InChI: InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
InChIKey: KYRVNWMVYQXFEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3cccs3
CACTVS 3.385COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3sccc3
Name:nocodazole
ChEMBL: CHEMBL9514
DrugBank: DB08313
ZINC: ZINC000000056509
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).