Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01588818
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 |
GVB![]() | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.71 | ![]() |
QUN![]() | QUINACRINE | A,B | 1JQE | 0.7 | ![]() |
L05![]() | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.8 | ![]() |
4BG![]() | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.78 | ![]() |
A5T![]() | (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}- N-cyclopropyl-N-(2,3-dichlorobenzyl)- 3,9-diazabicyclo[3.3.1]non-6-ene- 6-carboxamide | A,B | 3G70 | 0.7 | ![]() |
744![]() | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.73 | ![]() |
T1D![]() | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.74 | ![]() |
D56![]() | 4-(2-aminoethoxy)-N-(3-chloro-2- ethoxy-5-piperidin-1-ylphenyl)- 3,5-dimethylbenzamide | A | 2VIW | 0.75 | ![]() |
MDC![]() | N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN- 3-CARBOXAMIDE | A | 1A54 | 0.71 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.78 | ![]() |
LO2![]() | 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}- 1,1,1,3,3,3-hexafluoropropan-2- ol | A,B,C,D | 3FAL | 0.7 | ![]() |
4BQ![]() | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.73 | ![]() |
468![]() | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.73 | ![]() |
TF3![]() | N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | A | 2BU7 | 0.73 | ![]() |
T76![]() | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL- 2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H- PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA- CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)- TETRONE | A,H | 1NT1 | 0.75 | ![]() |
BN2![]() | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID | A | 1WUT | 0.73 | ![]() |
RPF![]() | 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]- PHENYL}-6-(1,2,,3,4-TETRAHYDRO- QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN- 2-ONE | A,B | 2BKT | 0.71 | ![]() |
XNI![]() | (11S)-10-acetyl-11-[4-(benzyloxy)- 3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11- hexahydro-1H-dibenzo[b,e][1,4]diazepin- 1-one | A,B | 3CSO | 0.77 | ![]() |
QUM![]() | QUINACRINE MUSTARD | A,B | 1GXF | 0.73 | ![]() |
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 | 0.78 | ![]() |
A7T![]() | (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6- dichloro-4-methylphenoxy)ethoxy]phenyl}- N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non- 6-ene-6-carboxamide | A,B | 3G6Z | 0.72 | ![]() |
UC1![]() | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4- CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)- PHENYL]-AMIDE | A | 1JLG | 0.72 | ![]() |
UC1![]() | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4- CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)- PHENYL]-AMIDE | A | 1RT4 | 0.72 | ![]() |
UC1![]() | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4- CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)- PHENYL]-AMIDE | A,B | 1S1T | 0.72 | ![]() |
UC1![]() | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4- CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)- PHENYL]-AMIDE | A | 1S1W | 0.72 | ![]() |
4BO![]() | (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid | A | 3CHP | 0.78 | ![]() |
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 | 0.71 | ![]() |
PZ1![]() | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7- DIHYDROQUINOLIN-7-YL]OXY}METHYL)- 1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN- 2-ONE | A | 2BKS | 0.71 | ![]() |
L1R![]() | 4-(2-AMINOETHOXY)-3,5-DICHLORO- N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE | A | 2VIP | 0.75 | ![]() |
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 | 0.7 | ![]() |
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 | 0.72 | ![]() |
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 | 0.72 | ![]() |
4BU![]() | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.72 | ![]() |
997![]() | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO- PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY- PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4- TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE | A | 1TFT | 0.7 | ![]() |
JPR![]() | 1-(3-chloro-4-methylphenyl)-3-{2- [({5-[(dimethylamino)methyl]-2- furyl}methyl)thio]ethyl}urea | A | 2JPR | 0.7 | ![]() |
SN9![]() | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | A,B | 1ZPI | 0.7 | ![]() |
IC1![]() | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.71 | ![]() |
380![]() | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)- N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE | H,L | 1W2K | 0.71 | ![]() |
177![]() | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]- PYRROLIDINE-3-CARBOXYLIC ACID 5- CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)- BENZYLAMIDE | A,B | 1TA6 | 0.74 | ![]() |
A6T![]() | (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}- N-cyclopropyl-N-(2,3-dichlorobenzyl)- 3,9-diazabicyclo[3.3.1]non-6-ene- 6-carboxamide | A,B | 3G72 | 0.7 | ![]() |
VG2![]() | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.73 | ![]() |