Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03128844
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.73 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.73 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.73 | ![]() |
ANI![]() | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.73 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.74 | ![]() |
BRN![]() | BERENIL | A,B | 268D | 0.87 | ![]() |
BRN![]() | BERENIL | A,B | 1D63 | 0.87 | ![]() |
BRN![]() | BERENIL | A,D,E | 2GBY | 0.87 | ![]() |
BRN![]() | BERENIL | A | 2DBE | 0.87 | ![]() |
BRN![]() | BERENIL | A | 2GVR | 0.87 | ![]() |
ZAT![]() | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.73 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.78 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.77 | ![]() |
150![]() | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.74 | ![]() |
9AP![]() | 9-AMINOPHENANTHRENE | A | 1EGY | 0.7 | ![]() |
LZ1![]() | 1H-indazole | A,B | 3E6I | 0.72 | ![]() |
LZ1![]() | 1H-indazole | A | 2VTA | 0.72 | ![]() |
GVG![]() | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.72 | ![]() |
CGQ![]() | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)- HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]- IMINOMETHYL]-BENZAMIDINIUM | A,B,D,E | 2G0E | 0.75 | ![]() |
CGQ![]() | 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)- HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]- IMINOMETHYL]-BENZAMIDINIUM | A,B | 1M6F | 0.75 | ![]() |
PHZ![]() | 1-PHENYLHYDRAZINE | A | 2E2T | 0.73 | ![]() |
PHZ![]() | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.73 | ![]() |
L15![]() | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.72 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.72 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.74 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.71 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.71 | ![]() |
VC3![]() | 3-(4-nitrophenyl)-1H-pyrazole | A,B,C,D | 2VCZ | 0.7 | ![]() |
UA5![]() | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.72 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.72 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.72 | ![]() |
R20![]() | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE | A | 2ADU | 0.72 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.76 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.76 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.76 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.76 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.76 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.76 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.76 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.8 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1RFN | 0.8 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.8 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.8 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIZ | 0.8 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | A | 1FIW | 0.8 | ![]() |
PBZ![]() | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.8 | ![]() |