Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00924521
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 |
2CA | BENZOFURAN-2-CARBOXYLIC ACID {(S)- 3-METHYL-1-[3-OXO-1-(PYRIDIN-2- YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE | A,B | 1NLJ | 0.72 | |
857 | 4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin- 2-yl]methoxy}phenyl)amino]-1,3- benzoxazol-5-yl}oxy)-N-methylpyridine- 2-carboxamide | A,B | 2QU6 | 0.75 | |
AAX | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)- 3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3- OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE | A | 1Y6B | 0.71 | |
897 | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.76 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.71 | |
RO1 | (3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)- 3-({3-(METHYLSULFONYL)-N-[(PYRIDIN- 3-YLOXY)ACETYL]-L-VALYL}AMINO)- 2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE- 3-CARBOXAMIDE | A,B | 2F3K | 0.72 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWH | 0.79 | |
BAX | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}- N-METHYLPYRIDINE-2-CARBOXAMIDE | A,B | 1UWJ | 0.79 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.71 | |
B4C | benzyl [(1S)-5-amino-1-{[(1S)-1- ({(1S)-5-amino-1-[(S)-1,3-benzoxazol- 2-yl(hydroxy)methyl]pentyl}carbamoyl)- 3-phenylpropyl]carbamoyl}pentyl]carbamate | B | 3E16 | 0.74 | |
T42 | MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID | H,I | 1AI8 | 0.71 | |
SYB | 4-[4-(DIMETHYLAMINO)-N-METHYL-L- PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)- 1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]- 4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN | A,B | 2Z2P | 0.7 | |
SYB | 4-[4-(DIMETHYLAMINO)-N-METHYL-L- PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)- 1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]- 4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN | 0,1,3,9,A,B, C,H,J,K,L,M, N,O,Q,R,S,T, U,Y,Z | 1YJW | 0.7 | |
SYB | 4-[4-(DIMETHYLAMINO)-N-METHYL-L- PHENYLALANINE]-5-[(2S,5R)-5-[[[(3S)- 1-AZABICYCLO-[2.2.2]OCT-3-YL]THIO]METHYL]- 4-OXO-2-PIPERIDINECARBOXYLIC ACID]VIRGINIAMYCIN | 0 | 1SM1 | 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 | 0.73 | |
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 | 0.73 | |
382 | (R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)- N-(2,2-DIFLUORO-2-(PIPERIDIN-2- YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN- 4-AMINE | A,B | 1ZGI | 0.71 | |
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 | 0.77 | |
208 | (2S)-3-(1-{[2-(2-CHLOROPHENYL)- 5-METHYL-1,3-OXAZOL-4-YL]METHYL}- 1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | A | 2GTK | 0.76 | |
I1H | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]- 4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN- 4-YL)METHYL]BENZAMIDE | B | 2BMG | 0.77 | |
CO9 | 1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL- 4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN | A | 2OPY | 0.71 | |
L11 | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)- PHENYL]-3-FLUORO- | A | 1W83 | 0.8 | |
A53 | 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3- YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1- (1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]- 1,3-DIHYDRO-INDOL-2-ONE | A | 2GHG | 0.71 | |
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 | |
544 | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1K74 | 0.73 | |
544 | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,C,E,G | 1K7L | 0.73 | |
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 | |
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 | 0.72 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.77 | |
547 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- B]PYRIDIN-4-AMINE | A | 2OF2 | 0.76 | |
310 | N-carbamimidoyl-2-[2-(2-chlorophenyl)- 5-[4-(4-ethanoylphenoxy)phenyl]pyrrol- 1-yl]ethanamide | A | 2ZDZ | 0.75 | |
ROF | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE | A,B | 1XOQ | 0.7 | |
ROF | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE | A,B | 1XMU | 0.7 | |
IIE | 1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | B | 2BQW | 0.7 | |
POS | 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]- 3-[[N/N-(4-PYRIDINYLCARBONYL)-L- LEUCYL]AMINO]-2-PROPANOL | A | 1AU2 | 0.72 | |
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 | 0.76 | |
VG8 | 4-(1,4'-bipiperidin-1'-yl)-7-({5- chloro-2-[(2-methoxyphenyl)amino]pyrimidin- 4-yl}amino)-2-methyl-2,3-dihydro- 1H-isoindol-1-one | A | 2JKQ | 0.7 | |
NVC | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol- 2-yl)pyrrolidin-1-yl]carbonyl}hexyl]- N-hydroxyformamide | A | 3E3U | 0.73 | |
BI9 | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE | A | 2JKK | 0.73 | |
PNU | 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN- 5-YL-ETHYLSULFANYL)-PYRIMIDIN-4- YLAMINE | A | 1IKX | 0.71 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.74 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.72 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.74 | |
T19 | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.74 | |
062 | 3-AZA-9-HYDROXY-9-FLUORENYLCARBONYL- L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N- OXIDE | A,B | 1ZRB | 0.71 | |
YBH | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- BUTYRIC ACID | A | 1RWX | 0.71 | |
FRL | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)- 1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1WXZ | 0.75 | |
893 | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE | A,B | 2H96 | 0.73 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.75 | |
PIL | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE | A,B | 1XM4 | 0.72 | |
PIL | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN- 4-YL)-4-METHOXYBENZAMIDE | A,B | 1XON | 0.72 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.73 | |
570 | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1RDT | 0.73 | |
570 | 2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | A,D | 1FM9 | 0.73 | |
276 | 4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]- 3H-benzimidazol-5-yl]oxy]-N-methyl- pyridine-2-carboxamide | A | 2QU5 | 0.72 | |
INP | 4-[[N-[(PHENYLMETHOXY)CARBONYL]- /NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4- (PYRIDINYLMETHOXY)CARBONYL]AMINO]- 4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | A | 1AU4 | 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 | 0.73 | |
ILI | N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY- 7-METHYL-1-(PYRIDIN-2-YLSULFONYL)- 2,3,4,7-TETRAHYDRO-1H-AZEPIN-4- YL]AMINO}CARBONYL)-3-METHYLBUTYL]- 1-BENZOFURAN-2-CARBOXAMIDE | A,B | 2FTD | 0.7 | |
TIT | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]- 3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)- L-VALYL]AMINO}PENTANOYL)-L-ALANYL- L-LEUCINAMIDE | A,B | 1W6H | 0.72 | |
VRS | VIRGINIAMYCIN S1 | 0,1,2,3,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 1YIT | 0.76 | |
MR6 | 2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE | A,B | 2QGE | 0.71 | |
471 | N-((2S)-2-({(1Z)-1-METHYL-3-OXO- 3-[4-(TRIFLUOROMETHYL) PHENYL]PROP- 1-ENYL}AMINO)-3-{4-[2-(5-METHYL- 2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE | A,B,C,D | 1KKQ | 0.75 | |
B3C | benzyl [(1R)-1-({(2S,4R)-2-({(1S)- 5-amino-1-[(S)-1,3-benzoxazol-2- yl(hydroxy)methyl]pentyl}carbamoyl)- 4-[(4-methylbenzyl)oxy]pyrrolidin- 1-yl}carbonyl)-3-phenylpropyl]carbamate | B | 3E0P | 0.73 | |
GNF | N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL- N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}- L-ALANINAMIDE | A,B | 2F1G | 0.72 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.76 | |
750 | 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN- 2-CARBOXYLIC ACID ((S)-3-METHYL- 1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2- YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE | A,B | 1NL6 | 0.74 |