Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00219593
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 |
AL6![]() | 2-(3-METHOXYPHENYL)-2H-THIENO-[3,2- E]-1,2-THIAZINE-6-SULFINAMIDE-1,1- DIOXIDE | A | 1BN3 | 0.73 | ![]() |
T1D![]() | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.73 | ![]() |
XM5![]() | 6-methoxy-9-methyl[1,3]dioxolo[4,5- h]quinolin-8(9H)-one | A,B | 3G5M | 0.71 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.73 | ![]() |
GWI![]() | N-({4-[({4-chloro-2-[(3-chloro- 5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]- 3-methylphenyl}sulfonyl)propanamide | A | 3DOL | 0.7 | ![]() |
GWJ![]() | 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}- N-(2-methyl-4-sulfamoylphenyl)acetamide | A | 3DOK | 0.7 | ![]() |
012![]() | (4S)-N-[(1S,2R)-1-benzyl-3-{[3- (dimethylamino)benzyl]amino}-2- hydroxypropyl]-1-(3-methoxybenzyl)- 2-oxoimidazolidine-4-carboxamide | A,B,C | 3CKP | 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 | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B,D,E | 1JUS | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A,D,E | 3BR6 | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B | 3D6Z | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A | 1OY8 | 0.71 | ![]() |
RHQ![]() | RHODAMINE 6G | A | 1T9V | 0.71 | ![]() |
ZY2![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 8-ethyl-1-methyl-3,4-dihydro-1H,8H- [1,2,5]thiadiazepino[5,4,3-de]quinoxaline- 10-carboxamide 2,2-dioxide | A | 2WF2 | 0.72 | ![]() |
FUN![]() | 5-(AMINOSULFONYL)-4-CHLORO-2-[(2- FURYLMETHYL)AMINO]BENZOIC ACID | A | 1Z9Y | 0.71 | ![]() |
4BQ![]() | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.7 | ![]() |
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 | 0.76 | ![]() |
RXD![]() | N-[3-(2-fluoroethoxy)phenyl]-N'- (1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 6-yl)butanediamide | A,B,C,D | 3DEK | 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 | 0.73 | ![]() |
451![]() | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin- 2-yl)acetamide | A | 3FYX | 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 | ![]() |
F79![]() | 2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4- FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID | A | 2EA4 | 0.7 | ![]() |
RPF![]() | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.73 | ![]() |
IC1![]() | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.7 | ![]() |
426![]() | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3- (CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | A | 1OWI | 0.7 | ![]() |
PI9![]() | A,B | 1D4L | 0.75 | ![]() | |
AL8![]() | (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)- 4-METHYLAMINO-2H-THIENO[3,2-E]- 1,2-THIAZINE-6-SULFONAMIDE-1,1- DIOXIDE | A | 1BNM | 0.74 | ![]() |
R6G![]() | RHODAMINE 6G | B | 2V3L | 0.71 | ![]() |
MSI![]() | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE- 1-SULFONYL)-1H-INDOLE-2,3-DIONE | A | 1GFW | 0.77 | ![]() |
2PD![]() | 5-hydroxy-4-(7-methoxy-1,1-dioxido- 2H-1,2,4-benzothiadiazin-3-yl)- 2-(3-methylbutyl)-6-phenylpyridazin- 3(2H)-one | A,B | 3BSC | 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 | 0.71 | ![]() |
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 | 0.71 | ![]() |
MDC![]() | N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN- 3-CARBOXAMIDE | A | 1A54 | 0.75 | ![]() |
VG4![]() | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(2-oxo-2,3-dihydro- 1H-pyrrol-1-yl)-5-propoxybenzamide | A | 2VIZ | 0.72 | ![]() |
I48![]() | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)- ETHOXY]-PHENYL}-BENZENESULFONAMIDE | H | 1UVT | 0.72 | ![]() |
AL7![]() | (S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)- 4-METHYLAMINO-2H-THIENO[3,2-E]- 1,2-THIAZINE-6-SULFONAMIDE-1,1- DIOXIDE | A | 1BNV | 0.74 | ![]() |
CP8![]() | A | 1UTT | 0.72 | ![]() | |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.71 | ![]() |
1CD![]() | (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24- PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA- 1(24),2,4,6,17(25),18,20-HEPTAENE- 23,26-DIONE | A | 2DS1 | 0.72 | ![]() |
189![]() | N-BENZYL-2-(2,6-DIMETHYLPHENOXY)- N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN- 3-YL)METHYL]ACETAMIDE | A,B | 1XL2 | 0.72 | ![]() |
MUV![]() | N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2- FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}- N'-METHYLSUCCINAMIDE | A,B | 2PSV | 0.7 | ![]() |
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 | 0.73 | ![]() |
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 | 0.73 | ![]() |
771![]() | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO- 5-METHOXY-BENZYLAMINO)-BENZAMIDINE | H,L | 1W0Y | 0.72 | ![]() |
PZ1![]() | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | B | 2FS4 | 0.71 | ![]() |
PZ1![]() | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | A | 2BKS | 0.71 | ![]() |
AL1![]() | 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)- 2H-THIENO-[3,2-E]-1,2-THIAZINE- 6-SULFONAMIDE-1,1-DIOXIDE | A | 1BNN | 0.73 | ![]() |
L1R![]() | 4-(2-AMINOETHOXY)-3,5-DICHLORO- N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE | A | 2VIP | 0.72 | ![]() |
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 | 0.7 | ![]() |
MXX![]() | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.74 | ![]() |
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 | 0.76 | ![]() |
INQ![]() | 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN- 4-YLMETHYL)-2H-THIENO[3,2-E]-1,2- THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE | A | 1I91 | 0.7 | ![]() |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.7 | ![]() |
033![]() | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]- 1,1'-BIPHENYL-4-YL}SULFONYL)-L- VALINE | A,B,C,D | 1ZTQ | 0.72 | ![]() |
D55![]() | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.76 | ![]() |
MUU![]() | N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3- METHOXYPHENYL)SULFONYL]AMINO}-2- HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE | A,B | 2PSU | 0.7 | ![]() |
INL![]() | 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN- 4-YLMETHYL)-2H-THIENO[3,2-E]-1,2- THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE | A | 1I8Z | 0.77 | ![]() |
SN9![]() | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPI | 0.72 | ![]() |
HDF![]() | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)- 5-DEAZAISOALLOXAZINE | A | 1QNF | 0.71 | ![]() |
HDF![]() | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)- 5-DEAZAISOALLOXAZINE | A,B,C,D,I,K | 1TEZ | 0.71 | ![]() |
HDF![]() | 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)- 5-DEAZAISOALLOXAZINE | A | 2J07 | 0.71 | ![]() |