BioLiP

PDB

BioLiP

PDB CCD ID:

K08

Number of entries in BioLiP:

Chemical formula:

C23 H24 N4

InChI:

InChI=1S/C23H24N4/c1-15(2)18-10-8-17(9-11-18)14-22-16(3)19(12-13-23-24-26-27-25-23)20-6-4-5-7-21(20)22/h4-11,14-15H,12-13H2,1-3H3,(H,24,25,26,27)/b22-14-

InChIKey:

QSWFMFNUTKAURC-HMAPJEAMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC\1=C(c2ccccc2/C1=C\c3ccc(cc3)C(C)C)CCc4[nH]nnn4
CACTVS 3.385	CC(C)c1ccc(cc1)/C=C2/C(=C(CCc3[nH]nnn3)c4ccccc24)C
CACTVS 3.385	CC(C)c1ccc(cc1)C=C2C(=C(CCc3[nH]nnn3)c4ccccc24)C
ACDLabs 12.01	n1nnnc1CCC3=C(\C(=C\c2ccc(cc2)C(C)C)c4ccccc34)C
OpenEye OEToolkits 1.7.6	CC1=C(c2ccccc2C1=Cc3ccc(cc3)C(C)C)CCc4[nH]nnn4

Name:

5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole

ChEMBL:

CHEMBL4531596

ZINC:

ZINC000098209060

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).