Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01035855
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 |
421![]() | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.72 | ![]() |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.7 | ![]() |
E89![]() | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A,D | 1Y5X | 0.71 | ![]() |
ANT![]() | ANTHRAMYCIN | A | 274D | 0.73 | ![]() |
608![]() | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 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 | 0.73 | ![]() |
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 | 0.72 | ![]() |
I04![]() | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE | A | 1SVG | 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 | 0.75 | ![]() |
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 | ![]() |
NU1![]() | 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE | A | 4PAX | 0.74 | ![]() |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 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 | 0.74 | ![]() |
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 | 0.79 | ![]() |
U04![]() | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.73 | ![]() |
896![]() | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.7 | ![]() |
897![]() | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.7 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B,D,E | 1JUS | 0.72 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.72 | ![]() |
RHQ![]() | RHODAMINE 6G | A,D,E | 3BR6 | 0.72 | ![]() |
RHQ![]() | RHODAMINE 6G | A,B | 3D6Z | 0.72 | ![]() |
RHQ![]() | RHODAMINE 6G | A | 1OY8 | 0.72 | ![]() |
RHQ![]() | RHODAMINE 6G | A | 1T9V | 0.72 | ![]() |
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 | 0.72 | ![]() |
SN9![]() | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPI | 0.75 | ![]() |
BZC![]() | A | 1EFY | 0.72 | ![]() | |
413![]() | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY- PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)- ACETYLAMINO]-PHENYL-ACETIC ACID | H,L | 1W7X | 0.71 | ![]() |
413![]() | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY- PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)- ACETYLAMINO]-PHENYL-ACETIC ACID | H | 1W8B | 0.71 | ![]() |
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 | 0.73 | ![]() |
D27![]() | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.73 | ![]() |
IID![]() | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.73 | ![]() |
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 | 0.75 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.71 | ![]() |
A55![]() | N-[2-(4-AMINO-5,8-DIFLUORO-1,2- DIHYDROQUINAZOLIN-2-YL)ETHYL]-3- FURAMIDE | A,B | 3E6O | 0.73 | ![]() |
061![]() | 2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL- 5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN- 4-ONE | A,B | 1A8T | 0.71 | ![]() |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.77 | ![]() |
380![]() | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)- N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE | H,L | 1W2K | 0.76 | ![]() |
R2C![]() | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 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 | 0.73 | ![]() |
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 | 0.75 | ![]() |