Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02098770
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 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 2IEO | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 2F80 | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 3CYW | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 2F81 | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 2F8G | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 1T3R | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 3D20 | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 3EBZ | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 2HS2 | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 1T7I | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 3D1Z | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 3BVB | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 2IDW | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 2IEN | 0.76 | |
017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3- B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A,B | 2HS1 | 0.76 | |
198 | R-BICALUTAMIDE | A | 1Z95 | 0.71 | |
F83 | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)- 1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2OBF | 0.76 | |
F83 | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)- 1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2G8N | 0.76 | |
SM1 | N-(BENZYLSULFONYL)-D-SERYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BENZYL)- L-ALANINAMIDE | U | 1W13 | 0.77 | |
LS5 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}- 2-OXO-2,3-DIHYDRO-1H-INDOLE | A | 1KE9 | 0.73 | |
MZ1 | N~2~-ACETYL-N-[(1S,2R)-1-BENZYL- 2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5- TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]- L-ALANINAMIDE | A,B | 2QHY | 0.71 | |
BO1 | N-[4-(AMINOSULFONYL)PHENYL]-BETA- D-GLUCOPYRANOSYLAMINE | A | 2HL4 | 0.73 | |
DY6 | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.73 | |
IN7 | [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- ACETIC ACID | A | 1B8Y | 0.8 | |
VG0 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1,1,5-trimethylhexyl)amino]propyl}- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide | A | 2VIE | 0.71 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.73 | |
TK4 | 2-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACID | H,L | 1C5C | 0.73 | |
LJH | N,N'-(iminodiethane-2,1-diyl)bis(4- amino-N-benzylbenzenesulfonamide) | A,B | 3BGC | 0.73 | |
I52 | N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL- PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)- SULFAMOYL]-4-PENTYL-BENZAMIDE | A | 1HOV | 0.74 | |
LS1 | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | A | 1KE5 | 0.76 | |
TF2 | (N-{4-[(ETHYLANILINO)SULFONYL]- 2-METHYLPHENYL}-3,3,3-TRIFLUORO- 2-HYDROXY-2-METHYLPROPANAMIDE | A | 2BU6 | 0.82 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.71 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.72 | |
MZ2 | (2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY- 3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]- 4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE | A,B | 2QHZ | 0.72 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.71 | |
888 | 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin- 3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin- 2(1H)-one | A,B | 2FVC | 0.73 | |
MUW | N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]- 6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)- BETA-PHENYL-L-PHENYLALANINAMIDE | A,B | 2Q3K | 0.72 | |
PI9 | A,B | 1D4L | 0.74 | ||
B22 | [2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)- 2-OXOETHYL]IMINO}DIACETATO(2-)- KAPPAO]COPPER | A | 2FOU | 0.72 | |
C4H | N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]- 3-SULFANYLPROPANAMIDE | A,B | 2DOO | 0.76 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EKO | 0.81 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EL3 | 0.81 | |
BOS | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.74 | |
CM8 | N-[(1S,2R)-1-benzyl-2-hydroxy-3- {[3-(trifluoromethyl)benzyl]amino}propyl]- 3-(1,1-dioxido-1,2-thiazinan-2- yl)-5-(ethylamino)benzamide | A | 2VNM | 0.74 | |
3BN | 3-BENZOYL-N-[(1S,2R)-1-BENZYL-3- (CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]- 5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE | A | 2B8V | 0.75 | |
DOE | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.72 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A | 1UPV | 0.74 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B | 2O9I | 0.74 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B,C,D | 1PQC | 0.74 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A,B | 1UHL | 0.74 | |
444 | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2- TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE | A | 1UPW | 0.74 | |
5HA | N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)- 2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]- N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | A | 2B8L | 0.75 | |
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 | 0.73 | |
DNS | N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}- L-LYSINE | H | 1WZ1 | 0.79 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.71 | |
AEN | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAR | 0.76 | |
AEN | 5-(1-SULFONAPHTHYL)-ACETYLAMINO- ETHYLAMINE | A | 1RAS | 0.76 | |
LJG | N,N'-(iminodiethane-2,1-diyl)bis[4- amino-N-(2-methylpropyl)benzenesulfonamide] | B | 3BGB | 0.72 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 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 | 0.77 | |
SH4 | (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE | H | 1UM4 | 0.74 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.71 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.71 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.71 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.71 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.77 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.72 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.72 | |
A00 | N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}- 6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)- beta-phenyl-L-phenylalaninamide | A,B | 2QMP | 0.79 | |
478 | {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL- AMINO]-1-BENZYL-2-HYDROXY-PROPYL}- CARBAMIC ACID TETRAHYDRO-FURAN- 3-YL ESTER | B | 1HPV | 0.82 | |
478 | {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL- AMINO]-1-BENZYL-2-HYDROXY-PROPYL}- CARBAMIC ACID TETRAHYDRO-FURAN- 3-YL ESTER | A,B | 1T7J | 0.82 | |
G3G | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4- AMINO-N-BENZYLBENZENESULFONAMIDE) | A,B | 2R43 | 0.72 | |
G3G | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4- AMINO-N-BENZYLBENZENESULFONAMIDE) | A,B | 2PWC | 0.72 | |
G3G | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4- AMINO-N-BENZYLBENZENESULFONAMIDE) | A,B | 2R3W | 0.72 | |
VG7 | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.72 | |
23I | N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL- 5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]- 2-METHYLPROPYL}AMINO)-4-METHYL- 5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]- N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | A,B,C,D | 2P4J | 0.73 |