BioLiP

PDB

BioLiP

PDB CCD ID:

DAP

Number of entries in BioLiP:

Chemical formula:

C16 H15 N5

InChI:

InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)

InChIKey:

FWBHETKCLVMNFS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N
CACTVS 3.341	NC(=N)c1ccc(cc1)c2[nH]c3cc(ccc3c2)C(N)=N
ACDLabs 10.04	[N@H]=C(N)c3ccc(c2cc1ccc(cc1n2)C(=[N@H])N)cc3

Name:

6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE

ChEMBL:

CHEMBL48217

ZINC:

ZINC000000056538

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).