Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01378377
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 |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A | 2D55 | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A | 1DSC | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B | 1A7Z | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B | 1OVF | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | C,D | 1MNV | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B,C,D | 1I3W | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B,C | 1A7Y | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B | 173D | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B | 1FJA | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A | 1DSD | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | B | 1L1V | 0.72 | |
PXZ | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-PHENOXAZIN-3-ONE | A,B,C | 1QFI | 0.72 | |
T1D | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.73 | |
BIJ | 7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY- 4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}- 2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}- 2-METHYL-2,3-DIHYDRO-1H-ISOINDOL- 1-ONE | A | 2JKO | 0.8 | |
897 | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.71 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.8 | |
H24 | (6S)-2-amino-6-(3'-methoxybiphenyl- 3-yl)-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA6 | 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 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.72 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.72 | |
VG2 | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.71 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.75 | |
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 | |
MXX | 5,8-dimethoxy-1,4-dimethylquinolin- 2(1H)-one | A,B | 3GAM | 0.71 | |
380 | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)- N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE | H,L | 1W2K | 0.73 | |
GW4 | N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]- 3-{4-[2-(5-METHYL-2-PHENYL-1,3- OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE | A,B | 2POB | 0.72 | |
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 | |
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 | 0.73 | |
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.72 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.72 | |
U04 | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.74 | |
BI9 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE | A | 2JKK | 0.71 | |
MFX | 1-cyclopropyl-6-fluoro-8-methoxy- 7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4- b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline- 3-carboxylic acid | F,H | 3FOF | 0.7 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1KCE | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1NCE | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F | 1KZJ | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | X | 2FTO | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TRG | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2TSC | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVU | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVV | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1FWM | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1BQ1 | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL5 | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AIQ | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DDU | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 1QZF | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1TDU | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZE | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8M | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 2OIP | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1CI7 | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DNA | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1LCA | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZD | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1ZPR | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AAZ | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8O | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVW | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL6 | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AN5 | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D | 2BFA | 0.72 | |
NU1 | 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE | A | 4PAX | 0.75 | |
R78 | 4-{[(7R)-8-cyclopentyl-7-ethyl- 5-methyl-6-oxo-5,6,7,8-tetrahydropteridin- 2-yl]amino}-3-methoxy-N-(1-methylpiperidin- 4-yl)benzamide | A | 2RKU | 0.71 | |
3MR | (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN- 3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE | A | 2Q15 | 0.77 | |
DQB | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.71 | |
NHS | 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID | A,B | 1C2T | 0.71 | |
THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A,B,C,D | 1EJI | 0.7 | |
THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A | 1U3G | 0.7 | |
THF | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | A | 2TDD | 0.7 | |
ANT | ANTHRAMYCIN | A | 274D | 0.72 | |
MSI | 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE- 1-SULFONYL)-1H-INDOLE-2,3-DIONE | A | 1GFW | 0.72 | |
D56 | 4-(2-aminoethoxy)-N-(3-chloro-2- ethoxy-5-piperidin-1-ylphenyl)- 3,5-dimethylbenzamide | A | 2VIW | 0.7 | |
SN9 | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPI | 0.79 | |
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 | |
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 | 0.73 | |
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 | 0.73 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.7 | |
A55 | N-[2-(4-AMINO-5,8-DIFLUORO-1,2- DIHYDROQUINAZOLIN-2-YL)ETHYL]-3- FURAMIDE | A,B | 3E6O | 0.7 | |
FON | FOLINIC ACID | A,B | 1QD1 | 0.71 | |
FON | FOLINIC ACID | A,B | 2BLN | 0.71 | |
FON | FOLINIC ACID | A,B,C,D | 1VRQ | 0.71 | |
FON | FOLINIC ACID | A,B | 1KL2 | 0.71 | |
FON | FOLINIC ACID | A,B | 1XZQ | 0.71 | |
R37 | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 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 | 0.71 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.7 | |
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 | 0.77 | |
PZD | (11aS)-7,8-dimethoxy-2-naphthalen- 2-yl-1,10,11,11a-tetrahydro-5H- pyrrolo[2,1-c][1,4]benzodiazepin- 5-one | A,B | 2K4L | 0.72 | |
R36 | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.71 | |
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 | 0.74 | |
617 | 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID | A | 2QE5 | 0.71 | |
THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 3G5R | 0.7 | |
THL | N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID | A | 1WOO | 0.7 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.71 | |
AXA | (5S)-5-(2-amino-2-oxoethyl)-4-oxo- N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin- 6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3- d]pyrimidine-2-carboxamide | A,B | 3DNG | 0.76 | |
IC1 | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.71 | |
418 | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO- 3-{4-[(2-CARBOXY-PHENYL)-OXALYL- AMINO]-PHENYL}-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1PH0 | 0.72 | |
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 | 0.74 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.74 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 1KZI | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7Z | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3BHR | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 3GSI | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1M7V | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A,B | 3BHL | 0.71 | |
THG | (6S)-5,6,7,8-TETRAHYDROFOLATE | A | 1U22 | 0.71 | |
337 | N-benzyl-1-[5-({5-tert-butyl-2- methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)- 2-methylphenyl]-1H-1,2,3-triazole- 4-carboxamide | A | 3CTQ | 0.71 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B,C,D | 1EQB | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1JOM | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1PJ7 | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B,C,D | 1DFO | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B | 2VMY | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A,B | 1JOL | 0.7 | |
FFO | 5-FORMYL-6-HYDROFOLIC ACID | A | 1WOP | 0.7 | |
GNF | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL- N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}- L-ALANINAMIDE | A,B | 2F1G | 0.72 | |
XIN | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.71 |