Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02143265
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 |
F13 | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | A,B | 3G35 | 0.7 | |
675 | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE | A | 1OWE | 0.74 | |
H1N | N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN- 1-YLMETHYL)PHENYL]IMINO}METHYL)- 2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE | A,B | 2BFY | 0.73 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.75 | |
4DP | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.71 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.74 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.73 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.73 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.73 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.73 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.73 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B | 3CFQ | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1SV9 | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 1NR6 | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 3HWV | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | B | 1DVX | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B6D | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A,B,C,D | 1PXX | 0.71 | |
DIF | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID | A | 2B17 | 0.71 | |
C16 | 4-(4-methyl-1,3-dioxo-1,3-dihydro- 2H-isoindol-2-yl)benzonitrile | A | 3BNZ | 0.8 | |
ISN | ISATIN | A,B | 1OJA | 0.84 | |
ISN | ISATIN | A,B | 2BK5 | 0.84 | |
744 | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.73 | |
SN8 | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPH | 0.71 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.75 | |
BRW | 6-BROMOINDIRUBIN-3'-OXIME | A | 1UV5 | 0.77 | |
GW9 | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.72 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.75 | |
239 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.71 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.74 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.74 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.74 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.74 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.74 | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.89 | |
LG8 | 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9- TETRAHYDRO-PYRIDO[1,2-A]INDOL-10- YL)-4-(1-METHYL-1H-INDOL-3-YL)- PYRROLE-2,5-DIONE | A,B | 2JED | 0.72 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1Q41 | 0.84 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1UNH | 0.84 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A | 2QKR | 0.84 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.76 | |
LI7 | (3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE | A | 1YXX | 0.74 | |
IDM | INDOLINE | A,B | 3CEP | 0.79 | |
IDM | INDOLINE | A | 1AEK | 0.79 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.76 | |
LS1 | N-METHYL-4-{[(2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | A | 1KE5 | 0.79 | |
BOS | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.74 | |
FEF | A,B | 2VZ6 | 0.75 | ||
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.73 | |
468 | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.73 | |
LS5 | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}- 2-OXO-2,3-DIHYDRO-1H-INDOLE | A | 1KE9 | 0.77 | |
HYQ | REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO- 2-(4-NITRO-1-NAPHTHALENYL)-4,7- ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE | A | 1XNN | 0.76 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EKO | 0.71 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EL3 | 0.71 | |
BRY | A | 2BHE | 0.77 | ||
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.71 | |
NNI | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate | A | 2VG7 | 0.75 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.84 | |
NNC | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate | A | 2VG5 | 0.72 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.71 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.71 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.72 | |
BAN | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.71 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.71 | |
529 | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE | A,C,D | 2BPM | 0.71 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.72 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.71 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.71 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.74 | |
VG0 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1,1,5-trimethylhexyl)amino]propyl}- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide | A | 2VIE | 0.7 | |
BC1 | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID | H,Y | 1LO0 | 0.72 | |
P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A,B | 2W98 | 0.75 | |
P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A,B | 2BXC | 0.75 | |
P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A | 2BXP | 0.75 | |
P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A | 2BXQ | 0.75 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.74 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.72 | |
TSN | TRICHOSTATIN A | A,B | 1C3R | 0.72 | |
TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.72 | |
TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.72 | |
CRI | A,B | 1VKG | 0.76 | ||
PYQ | PYROQUILON | A | 1JA9 | 0.8 | |
PYQ | PYROQUILON | A,B,C,D | 1G0O | 0.8 | |
4AN | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.74 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.73 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.7 | |
FRP | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)- 5-METHYL-6-OXO-1-PHENYLHEXAN-2- YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | A,B,C | 2FDP | 0.72 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.87 | |
INR | A,C | 1E9H | 0.74 | ||
INR | A | 1UZU | 0.74 | ||
INR | A,B | 1V0O | 0.74 | ||
G3E | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.7 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.76 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.76 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.76 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.76 | |
NNB | O-[2-(1,3-dioxo-1,3-dihydro-2H- isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate | A | 2VG6 | 0.72 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.7 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.7 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.71 | |
FRA | [4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO- 4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC- 1-YLCARBAMOYLOXY]-ACETIC ACID | A,B,H,L | 1A4K | 0.73 |