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BioLiP

PDB CCD ID: ZEA
Number of entries in BioLiP: 38
Chemical formula: C10 H13 N5 O
InChI: InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
InChIKey: UZKQTCBAMSWPJD-FARCUNLSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.5CC(=CCNc1c2c([nH]cn2)ncn1)CO
OpenEye OEToolkits 1.7.5C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO
CACTVS 3.385CC(/CO)=C\CNc1ncnc2[nH]cnc12
CACTVS 3.385CC(CO)=CCNc1ncnc2[nH]cnc12
ACDLabs 10.04n2c1c(ncn1)c(nc2)NC\C=C(/C)CO
Name:(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol;
TRANS-ZEATIN
ChEMBL: CHEMBL525239
DrugBank: DB11337
ZINC: ZINC000004492895
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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