Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00292981
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 |
968![]() | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.73 | ![]() |
HAB![]() | A,B | 1SRE | 0.73 | ![]() | |
NAB![]() | A,B | 1SRJ | 0.72 | ![]() | |
BIT![]() | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO- 4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN- 4-ONE | A | 1YV3 | 0.72 | ![]() |
3MR![]() | (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN- 3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE | A | 2Q15 | 0.74 | ![]() |
NN2![]() | 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO- 2H-1,2,4-BENZOTHIADIAZIN-3-YL)- 6-FLUORO-4-HYDROXYQUINOLIN-2(1H)- ONE | A,B | 2GIQ | 0.71 | ![]() |
HDF![]() | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)- 5-DEAZAISOALLOXAZINE | A | 1QNF | 0.75 | ![]() |
HDF![]() | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)- 5-DEAZAISOALLOXAZINE | A,B,C,D,I,K | 1TEZ | 0.75 | ![]() |
HDF![]() | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)- 5-DEAZAISOALLOXAZINE | A | 2J07 | 0.75 | ![]() |
DMB![]() | A,B | 1SRI | 0.7 | ![]() | |
421![]() | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.7 | ![]() |
CZI![]() | (2R)-8-BENZYL-2-HYDROPEROXY-6-(4- HYDROXYPHENYL)-2-(4-IODOBENZYL)- 7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 3(2H)-ONE | A,B | 1UHI | 0.72 | ![]() |
888![]() | 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin- 3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin- 2(1H)-one | A,B | 2FVC | 0.72 | ![]() |
FO1![]() | 1-deoxy-1-(8-hydroxy-2,4-dioxo- 3,4-dihydropyrimido[4,5-b]quinolin- 10(2H)-yl)-D-ribitol | A,B,C,D | 3C3D | 0.75 | ![]() |
FO1![]() | 1-deoxy-1-(8-hydroxy-2,4-dioxo- 3,4-dihydropyrimido[4,5-b]quinolin- 10(2H)-yl)-D-ribitol | A,B,C,D | 3C3E | 0.75 | ![]() |
CH7![]() | [(4Z)-4-(4-HYDROXYBENZYLIDENE)- 5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN- 2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1- YL]ACETIC ACID | A,B | 1XAE | 0.72 | ![]() |
CH7![]() | [(4Z)-4-(4-HYDROXYBENZYLIDENE)- 5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN- 2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1- YL]ACETIC ACID | A,B,C,D | 2OGR | 0.72 | ![]() |
MOY![]() | [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE | A,B | 2IEH | 0.7 | ![]() |
CZP![]() | (8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY- 2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)- 7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 3(2H)-ONE | A,B | 1UHH | 0.71 | ![]() |
135![]() | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.74 | ![]() |
826![]() | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.71 | ![]() |
GG1![]() | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP- 1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN- 3(2H)-YL]METHYL}BENZOIC ACID | A,B,C,D,E,F, G,H | 2OZR | 0.71 | ![]() |
MTB![]() | A,B | 1SRF | 0.71 | ![]() | |
BL7![]() | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a- tetrahydro-4H-pyrrolo[2,3-b]quinolin- 4-one | A | 3BZ9 | 0.73 | ![]() |
C00![]() | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BYX | 0.7 | ![]() |
C00![]() | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BZ0 | 0.7 | ![]() |
CZH![]() | C2-HYDROPEROXY-COELENTERAZINE | A | 1QV1 | 0.75 | ![]() |
CZH![]() | C2-HYDROPEROXY-COELENTERAZINE | A | 1JF2 | 0.75 | ![]() |
CZH![]() | C2-HYDROPEROXY-COELENTERAZINE | A | 1SL9 | 0.75 | ![]() |
CZH![]() | C2-HYDROPEROXY-COELENTERAZINE | A | 1JF0 | 0.75 | ![]() |
CZH![]() | C2-HYDROPEROXY-COELENTERAZINE | A | 1QV0 | 0.75 | ![]() |
CZH![]() | C2-HYDROPEROXY-COELENTERAZINE | A,B | 1EJ3 | 0.75 | ![]() |
FRM![]() | 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE | A,B | 1UK0 | 0.73 | ![]() |
061![]() | 2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL- 5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN- 4-ONE | A,B | 1A8T | 0.81 | ![]() |
MHB![]() | A,B | 1SRG | 0.72 | ![]() | |
BL4![]() | (3aS)-3a-hydroxy-5-methyl-1-phenyl- 1,2,3,3a-tetrahydro-4H-pyrrolo[2,3- b]quinolin-4-one | A | 3BZ7 | 0.71 | ![]() |
XX4![]() | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.74 | ![]() |
NHS![]() | 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID | A,B | 1C2T | 0.7 | ![]() |
DQB![]() | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.72 | ![]() |
NU1![]() | 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE | A | 4PAX | 0.82 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.7 | ![]() |
BL6![]() | (3aS)-3a-hydroxy-7-methyl-1-phenyl- 1,2,3,3a-tetrahydro-4H-pyrrolo[2,3- b]quinolin-4-one | A | 3BZ8 | 0.72 | ![]() |
OI1![]() | 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4- HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]- 4-OXO-3,6,11,11A-TETRAHYDRO-4H- PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM- 1-OLATE | A,B | 1Q9D | 0.7 | ![]() |
709![]() | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.74 | ![]() |
CTZ![]() | C2-HYDROXY-COELENTERAZINE | A | 2HPS | 0.76 | ![]() |
CTZ![]() | C2-HYDROXY-COELENTERAZINE | A | 1EL4 | 0.76 | ![]() |