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BioLiP

PDB CCD ID: UKC
Number of entries in BioLiP: 0
Chemical formula: C17 H17 N5 O
InChI: InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-9-18-15)16-19-10-11(2)22(16)13-7-8-14(23-3)20-17(13)21/h5-10H,4H2,1-3H3
InChIKey: WCIBELXOPRCLEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C
CACTVS 3.341CCN1c2nc(OC)ccc2n3c(C)cnc3c4cccnc14
ACDLabs 10.04n3c(OC)ccc4n1c(ncc1C)c2cccnc2N(c34)CC
Name:8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-DIBENZO[E,H]AZULENE
ChEMBL: CHEMBL42906
ZINC: ZINC000000005563
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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