Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01710137
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 |
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 | 0.7 | ![]() |
627![]() | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE | A,B | 2J50 | 0.73 | ![]() |
627![]() | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE | A,B | 2V7A | 0.73 | ![]() |
CKK![]() | N-{[4-({5-[(4-aminopiperidin-1- yl)methyl]pyrrolo[2,1-f][1,2,4]triazin- 4-yl}oxy)-3-fluorophenyl]carbamoyl}- 2-(4-fluorophenyl)acetamide | A | 3C1X | 0.74 | ![]() |
L92![]() | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.7 | ![]() |
LG0![]() | 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin- 1-ylmethyl)cyclopropyl)phenyl)- 3-(trifluoromethyl)-5,6-dihydro- 1H-pyrazolo[3,4-c]pyridin-7(4H)- one | A | 3CS7 | 0.79 | ![]() |
BI5![]() | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.74 | ![]() |
ZYE![]() | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H- PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE | A | 2WEZ | 0.77 | ![]() |
I05![]() | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN- 3-YL}-ISONICOTINAMIDE | A | 1VEB | 0.74 | ![]() |
VIA![]() | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1XOS | 0.7 | ![]() |
VIA![]() | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1TBF | 0.7 | ![]() |
VIA![]() | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A,B,C | 2H42 | 0.7 | ![]() |
VIA![]() | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1UDT | 0.7 | ![]() |
5FR![]() | 4-({1-[3-(3-amino-3-oxopropyl)- 5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3- c]pyridin-6-yl}amino)-3-methoxy- N-(1-methylpiperidin-4-yl)benzamide | A | 3DBF | 0.72 | ![]() |
896![]() | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.77 | ![]() |
4FR![]() | 3'-chloro-5'-[6-({2-methoxy-4-[(1- methylpiperidin-4-yl)carbamoyl]phenyl}amino)- 3-methyl-1H-pyrazolo[4,3-c]pyridin- 1-yl]biphenyl-2-carboxamide | A | 3DBE | 0.71 | ![]() |
541![]() | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.72 | ![]() |
L2G![]() | N-(4-{1-[4-(4-ACETYLPIPERAZIN-1- YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}- 2-METHOXYPHENYL)-1-METHYL-1H-INDOLE- 2-CARBOXAMIDE | A,B | 2C0O | 0.71 | ![]() |
PQA![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 0.81 | ![]() |
T4B![]() | A | 2NNQ | 0.71 | ![]() | |
D1G![]() | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.71 | ![]() |
RIE![]() | (3R,5R)-7-[1-(4-fluorophenyl)-4- (1-methylethyl)-3-{methyl[(1R)- 1-phenylethyl]carbamoyl}-1H-pyrazol- 5-yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 2R4F | 0.71 | ![]() |
SS5![]() | (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]- 3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | A | 2UZV | 0.71 | ![]() |
307![]() | 6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1- [3-(TRIFLUOROMETHYL)PHENYL]-1H- INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]- 4H-CHROMEN-4-ONE | A,C | 2AZ5 | 0.72 | ![]() |
EHA![]() | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}- 1H-INDOL-1-YL)ACETIC ACID | A | 2F4B | 0.7 | ![]() |
ZAA![]() | (5-{3-[2-(5-methyl-2-phenyl-1,3- oxazol-4-yl)ethoxy]benzyl}-2-phenyl- 2H-1,2,3-triazol-4-yl)acetic acid | A | 3BC5 | 0.72 | ![]() |
YSH![]() | 1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]- 1H-PYRAZOLE-4-CARBOXYLIC ACID | A,B | 1VDV | 0.76 | ![]() |
5QC![]() | 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)- 6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN- 1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)- 1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4- C]PYRIDIN-7-ONE | A | 2FZZ | 0.74 | ![]() |
GS2![]() | 2-[(2-{[1-(N,N-dimethylglycyl)- 5-methoxy-1H-indol-6-yl]amino}- 7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]- 6-fluoro-N-methylbenzamide | A | 3EKK | 0.71 | ![]() |
I04![]() | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE | A | 1SVG | 0.75 | ![]() |
KNI![]() | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | A,B | 3FX5 | 0.71 | ![]() |
KNI![]() | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | B | 1HPX | 0.71 | ![]() |
KNI![]() | (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL- METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | B | 2ZYE | 0.71 | ![]() |
I08![]() | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO- 6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]- VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE | A | 1SVH | 0.74 | ![]() |
JK1![]() | 3-{4-[(phenylcarbamoyl)amino]-1H- pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | A | 3FI2 | 0.74 | ![]() |
JK2![]() | 3-{5-[(2-fluorophenyl)amino]-1H- indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide | A | 3FI3 | 0.74 | ![]() |
547![]() | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- B]PYRIDIN-4-AMINE | A | 2OF2 | 0.73 | ![]() |
REW![]() | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3- (2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)- 4-OXOAZETIDINE-2-CARBOXYLIC ACID | A | 2REW | 0.72 | ![]() |
897![]() | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.77 | ![]() |
SS3![]() | (2S)-1-{[5-(3-METHYL-1H-INDAZOL- 5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN- 2-AMINE | A | 2UZT | 0.72 | ![]() |
4DE![]() | 1-(4-METHOXYPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2D | 0.74 | ![]() |
ZY1![]() | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 7-ethyl-1-methyl-3,4-dihydro-1H- [1,2,5]thiadiazepino[3,4,5-hi]indole- 9-carboxamide 2,2-dioxide | A | 2WF1 | 0.71 | ![]() |
IID![]() | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.73 | ![]() |
A83![]() | TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL- 2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)- 1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE | A | 1ZPA | 0.72 | ![]() |
GG2![]() | 1-(4-METHOXYPHENYL)-7-OXO-6-[4- (2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7- TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE- 3-CARBOXAMIDE | A | 2P16 | 0.77 | ![]() |
869![]() | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL- 4-YL)[6-(METHYLSULFONYL)-4'-METHOXY- 2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE | A | 1TFZ | 0.7 | ![]() |
869![]() | (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL- 4-YL)[6-(METHYLSULFONYL)-4'-METHOXY- 2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE | A,B | 1SQI | 0.7 | ![]() |
L3G![]() | N-(4-{4-AMINO-1-[1-(TETRAHYDRO- 2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}- 2-METHOXYPHENYL)-1-METHYL-1H-INDOLE- 2-CARBOXAMIDE | A,B | 2C0T | 0.7 | ![]() |
MR9![]() | 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN- 4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN- 4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2P4I | 0.71 | ![]() |
PQB![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | A | 2BAQ | 0.79 | ![]() |
PQB![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | A | 2GFS | 0.79 | ![]() |
I01![]() | (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY- BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE- 4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER | A | 1SVE | 0.73 | ![]() |
WAY![]() | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FLS | 0.72 | ![]() |
WAY![]() | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)- PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL- BENZAMIDE | A | 1FM1 | 0.72 | ![]() |
L1G![]() | N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN- 1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)- 1-METHYL-1H-INDOLE-2-CARBOXAMIDE | A,B | 2C0I | 0.7 | ![]() |
MKR![]() | 1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN- 1-YL)PROPYL]-8-FLUORO-3-PHENYL- 3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN- 2-YL}ETHANONE | A,B | 2Q2Y | 0.71 | ![]() |
R69![]() | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH4 | 0.71 | ![]() |
R69![]() | N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN- 3-YL]ISONICOTINAMIDE | A | 1XH9 | 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 | 0.76 | ![]() |