Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01236550
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 |
MIT![]() | ARGATROBAN | H | 1DWC | 0.7 | ![]() |
ZY3![]() | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 6-(ETHYLAMINO)-1-METHYL-1,3,4,5- TETRAHYDRO-2,1-BENZOTHIAZEPINE- 8-CARBOXAMIDE 2,2-DIOXIDE | A | 2WF3 | 0.7 | ![]() |
A48![]() | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL | A,B | 2Q6J | 0.7 | ![]() |
VS3![]() | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL- AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4- NITRO-PHENYL ESTER | A | 1F2B | 0.72 | ![]() |
1UN![]() | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | A | 2Q63 | 0.73 | ![]() |
1UN![]() | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2Q64 | 0.73 | ![]() |
1UN![]() | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | B,D | 2R5Q | 0.73 | ![]() |
1UN![]() | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | A | 2PYN | 0.73 | ![]() |
1UN![]() | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | A | 2QAK | 0.73 | ![]() |
1UN![]() | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | A | 2PYM | 0.73 | ![]() |
1UN![]() | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | A | 1OHR | 0.73 | ![]() |
UN7![]() | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID | A | 2F71 | 0.74 | ![]() |
161![]() | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID | A,B | 1NMS | 0.7 | ![]() |
UN5![]() | {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO- PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-7-YL}-SULFAMIC ACID | A | 2F6Z | 0.71 | ![]() |
I52![]() | N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL- PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)- SULFAMOYL]-4-PENTYL-BENZAMIDE | A | 1HOV | 0.7 | ![]() |
AEJ![]() | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2- A]PYRAZIN-2-YL]PHENYL}-2-PHENYL- 1,2,3,4-TETRAHYDROISOQUINOLIN-6- OL | A,B,C,D | 1XQC | 0.72 | ![]() |
MUT![]() | (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)- 1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4- METHOXYPHENYL)SULFONYL]AMINO}PROPYL]- 2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE | A,B | 2I0D | 0.7 | ![]() |
905![]() | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)- 1-(3,5-DIETHOXY-2-FLUOROPHENYL)- 2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE | H,L | 1YGC | 0.71 | ![]() |
MDW![]() | (1R)-N,6-DIHYDROXY-7-METHOXY-2- [(4-METHOXYPHENYL)SULFONYL]-1,2,3,4- TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE | A | 2DDY | 0.74 | ![]() |
PI9![]() | A,B | 1D4L | 0.74 | ![]() | |
UNB![]() | N-(4-CARBAMIMIDOYL-BENZYL)-2-[2- HYDROXY-6-METHYL-3-(NAPHTHALENE- 1-SULFONYLAMINO)-PHENYL]-ACETAMIDE | A,B | 2BDY | 0.75 | ![]() |
TI2![]() | (2-SULFANYL-3-PHENYLPROPANOYL)- PHE-TYR | A | 1QF0 | 0.72 | ![]() |
A00![]() | N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}- 6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)- beta-phenyl-L-phenylalaninamide | A,B | 2QMP | 0.74 | ![]() |
033![]() | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]- 1,1'-BIPHENYL-4-YL}SULFONYL)-L- VALINE | A,B,C,D | 1ZTQ | 0.71 | ![]() |
DNS![]() | N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}- L-LYSINE | H | 1WZ1 | 0.73 | ![]() |
FEN![]() | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.71 | ![]() |
GNQ![]() | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HHN | 0.71 | ![]() |
GNQ![]() | N-[(1R)-1-[(BENZYLSULFONYL)METHYL]- 2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}- 2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE | A,B | 2HH5 | 0.71 | ![]() |
CYF![]() | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 1MPA | 0.71 | ![]() |
CYF![]() | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 2MPA | 0.71 | ![]() |
CYF![]() | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | I,L | 1DZH | 0.71 | ![]() |
DDT![]() | N,O-DIDANSYL-L-TYROSINE | A,B | 1JG0 | 0.78 | ![]() |
709![]() | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.7 | ![]() |
888![]() | 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin- 3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin- 2(1H)-one | A,B | 2FVC | 0.71 | ![]() |
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 | 0.74 | ![]() |
LI7![]() | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.71 | ![]() |
BSD![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 5-[methyl(methylsulfonyl)amino]- N'-[(1R)-1-phenylethyl]benzene- 1,3-dicarboxamide | A,B,C,D | 2VKM | 0.7 | ![]() |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.74 | ![]() |
SK2![]() | (3R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | A | 2F6V | 0.74 | ![]() |
U04![]() | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.71 | ![]() |
RYU![]() | (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN- 1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO- 2,3'-BIINDOL-2'(1'H)-ONE | A | 2BHH | 0.73 | ![]() |
C44![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1S)-1,2,3,4-tetrahydronaphthalen- 1-ylamino]propyl}-3-(1,1-dioxido- 1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | A | 2VIJ | 0.7 | ![]() |
I84![]() | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EKO | 0.72 | ![]() |
I84![]() | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EL3 | 0.72 | ![]() |
DY6![]() | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.81 | ![]() |
BSI![]() | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1BZS | 0.71 | ![]() |
BSI![]() | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1I76 | 0.71 | ![]() |
UA1![]() | N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE | A | 2I4H | 0.76 | ![]() |
UA1![]() | N-(TERT-BUTOXYCARBONYL)-L-TYROSYL- N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE | A | 2I4G | 0.76 | ![]() |
YTT![]() | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine- 2,5-dione | A | 3G5H | 0.73 | ![]() |
TAV![]() | N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]- 5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}- L-ASPARTIC ACID | A,B,C,D | 1YBG | 0.76 | ![]() |