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BioLiP

PDB CCD ID: LII
Number of entries in BioLiP: 1
Chemical formula: C18 H19 N5 O2
InChI: InChI=1S/C18H19N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h4-9H,1-3H3,(H4,19,20,21,22,23)/b5-4-
InChIKey: WNDJHUNKXPAREB-PLNGDYQASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC)OC
ACDLabs 10.04n1cc(c(c2c1nc(nc2N)N)C)/C=C\c3cc(OC)ccc3OC
OpenEye OEToolkits 1.5.0Cc1c(cnc2c1c(nc(n2)N)N)C=Cc3cc(ccc3OC)OC
CACTVS 3.341COc1ccc(OC)c(C=Cc2cnc3nc(N)nc(N)c3c2C)c1
CACTVS 3.341COc1ccc(OC)c(\C=C/c2cnc3nc(N)nc(N)c3c2C)c1
Name:(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE;
SRI-9662
DrugBank: DB03060
ZINC: ZINC000005891398
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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