Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01333560
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 |
AGG | TIROFIBAN | A,B | 2VDM | 0.72 | |
GRL | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN- 5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)- N-ISOBUTYLPHENYLSULFONAMIDO)-1- PHENYLBUTAN-2-YLCARBAMATE | A,B | 3EC0 | 0.7 | |
GRL | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN- 5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)- N-ISOBUTYLPHENYLSULFONAMIDO)-1- PHENYLBUTAN-2-YLCARBAMATE | A,B | 2HB3 | 0.7 | |
ZYA | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.7 | |
5PH | 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- 5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY- BENZOIC ACID | A | 1RWV | 0.84 | |
B1L | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE | A | 1REJ | 0.71 | |
G05 | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin- 6-yl [(1S,2R)-1-benzyl-2-hydroxy- 3-{[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino}propyl]carbamate | A,B | 3DK1 | 0.73 | |
189 | N-BENZYL-2-(2,6-DIMETHYLPHENOXY)- N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN- 3-YL)METHYL]ACETAMIDE | A,B | 1XL2 | 0.71 | |
C39 | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.72 | |
HBH | 2-[(8S,11S)-11-{(1R)-1-HYDROXY- 2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}- 6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA- 1(15),13,16-TRIEN-8-YL]ACETAMIDE | A,B | 1Z1R | 0.71 | |
G55 | (5R)-1,3-dioxepan-5-yl [(1S,2R)- 1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino}propyl]carbamate | A,B | 3DJK | 0.71 | |
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 | 0.74 | |
BD2 | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | A | 1RE8 | 0.73 | |
BJH | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.73 | |
EB4 | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo- 1,5,9-trioxacyclododecane-3,7,11- triyl]tris(2,3-dihydroxybenzamide) | A,B,C | 3CMP | 0.72 | |
OBE | 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL- 8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | H | 1RIV | 0.71 | |
ADF | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN- 1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}- 3-TERT-BUTYLBENZOIC ACID | A | 2G5P | 0.71 | |
BA1 | BALANOL | A | 1BX6 | 0.71 | |
C1N | N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~- [3-FLUORO-1-(4-HYDROXYBENZYL)-2- OXOPROPYL]LEUCINAMIDE | A | 1ZCM | 0.71 | |
429 | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.71 | |
F79 | 2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4- FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID | A | 2EA4 | 0.7 | |
JH0 | A,C | 1XZ0 | 0.7 | ||
033 | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]- 1,1'-BIPHENYL-4-YL}SULFONYL)-L- VALINE | A,B,C,D | 1ZTQ | 0.71 | |
MZ9 | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(4-METHOXYPHENYL)SULFONYL][(2S)- 2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE | A,B | 2QI7 | 0.76 | |
INX | 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)- 2-[(3-CARBOXYPROPANOYL)AMINO] - 3-PHENYLPROPANOYL}AMINO)-3-OXO- 3-(PENTYLAMINO)PROPYL]BENZOIC ACID | A | 1G7G | 0.76 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.71 | |
941 | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO- 2-[4-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-BUTYLCARBAMOYL]-ETHYL}- PHENOXY)-MALONIC ACID | A | 1PYN | 0.73 | |
HBB | N-{(2R)-2-HYDROXY-2-[(8S,11S)-8- ISOPROPYL-6,9-DIOXO-2-OXA-7,10- DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16- TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE | A,B | 1Z1H | 0.73 | |
DJR | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL [(1S,2R)-1-BENZYL- 2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE | A | 2I4U | 0.71 | |
DJR | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL [(1S,2R)-1-BENZYL- 2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE | B | 2I4V | 0.71 | |
MUU | N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3- METHOXYPHENYL)SULFONYL]AMINO}-2- HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE | A,B | 2PSU | 0.74 | |
32P | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}- 5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE | A | 1TQF | 0.71 | |
IZF | METHYL 2-{[5-({3-CHLORO-4-[(5S)- 1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}- 6-HYDROXYBENZOATE | A | 2CNI | 0.74 | |
886 | N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl- 4-yl}sulfonyl)-D-valine | A,B,C,D | 2RJP | 0.73 | |
CMQ | N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)- 2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]- L-LEUCINAMIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2FZS | 0.71 | |
MOX | 7-METHOXY-3-METHYL-7-(3-METHYL- 2-PHENYL-BUT-3-ENOYLAMINO)-8-OXO- 5-OXA-1-AZA-BICYCLO[4.2.0]OCT-2- ENE-2-CARBOXYLIC ACID | A,B | 1I5Q | 0.71 | |
MOX | 7-METHOXY-3-METHYL-7-(3-METHYL- 2-PHENYL-BUT-3-ENOYLAMINO)-8-OXO- 5-OXA-1-AZA-BICYCLO[4.2.0]OCT-2- ENE-2-CARBOXYLIC ACID | A,B | 1FCO | 0.71 | |
NLT | N-DODECANOYL-L-TYROSINE | A,B,C,D,E,F, G,H | 2G0B | 0.7 | |
159 | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)- BENZOIC ACID | A,B | 1NME | 0.74 | |
MZ3 | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(3-METHOXYPHENYL)SULFONYL](2- THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO- 2-METHYLBENZAMIDE | A,B | 2QI0 | 0.7 | |
C40 | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.72 | |
TBH | 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)- AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}- 3-HYDROXY-3-PENTYLAMINO-PROPYL)- 2-CARBOXYMETHOXY-BENZOIC ACID | B | 1JF7 | 0.74 | |
INZ | 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY- 2-PHENYLETHYL]AMINO}CARBONYL)AMINO]- 3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID | A | 1G7F | 0.7 | |
MUV | N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2- FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}- N'-METHYLSUCCINAMIDE | A,B | 2PSV | 0.74 | |
161 | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID | A,B | 1NMS | 0.8 | |
MUI | (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)- 1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4- METHOXYPHENYL)SULFONYL]AMINO}PROPYL]- 2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE | A,B | 2I0A | 0.73 |