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BioLiP Library

PDB CCD ID: 6NP
Number of entries in BioLiP: 1
Chemical formula: C30 H27 N5
InChI: InChI=1S/C30H27N5/c1-2-6-22(7-3-1)18-27-21-35(17-16-32-27)29-20-28(24-12-14-31-15-13-24)30(34-33-29)26-11-10-23-8-4-5-9-25(23)19-26/h1-15,19-20,27,32H,16-18,21H2/t27-/m0/s1
InChIKey: WFSFNKVFXLIZIY-MHZLTWQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C1CN(C[CH](Cc2ccccc2)N1)c3cc(c4ccncc4)c(nn3)c5ccc6ccccc6c5
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@H]2C[N@@](CCN2)c3cc(c(nn3)c4ccc5ccccc5c4)c6ccncc6
CACTVS 3.341C1CN(C[C@H](Cc2ccccc2)N1)c3cc(c4ccncc4)c(nn3)c5ccc6ccccc6c5
ACDLabs 10.04n2nc(cc(c1ccncc1)c2c4cc3ccccc3cc4)N5CC(NCC5)Cc6ccccc6
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC2CN(CCN2)c3cc(c(nn3)c4ccc5ccccc5c4)c6ccncc6
Name:6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE
DrugBank: DB01988
ZINC: ZINC000012501440
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)(download the PDF file).
  • 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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