Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03517175
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 |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.77 |  |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.77 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.77 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.77 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.8 | |
221 | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.72 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.72 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.77 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.77 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.74 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.71 | |
| GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.71 | |
| GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.71 | |
| GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.71 | |
MRA | 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]- 3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE | A | 2P55 | 0.7 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.72 | |
W22 | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.71 | |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.72 | |
G3E | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.79 | |
TYX | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.71 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.78 | |
| TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.78 | |
| TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.78 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.73 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.7 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.7 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.7 | |
| ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.7 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.81 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.72 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.72 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.72 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.72 | |
G30 | (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid | A | 3G30 | 0.75 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.75 | |
| NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.75 | |
ISN | ISATIN | A,B | 1OJA | 0.7 | |
| ISN | ISATIN | A,B | 2BK5 | 0.7 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.74 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.74 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1TV5 | 0.77 | |
| A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1D3H | 0.77 | |
FEN | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | A | 1FEL | 0.71 | |
EOZ | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.73 | |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.7 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.7 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.7 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.7 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.7 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.79 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.73 | |
GBS | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.7 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.7 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.7 | |
| GBS | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.7 | |
BHM | (R)-3-BROMO-2-HYDROXY-2-METHYL- N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A | 2AX9 | 0.74 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.72 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.7 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.75 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.76 | |
| IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.76 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.71 | |
23F | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID | A | 1VRZ | 0.72 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.71 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.79 | |
878 | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.73 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.74 | |
ST4 | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.71 | |
ST5 | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.71 | |
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.75 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.78 | |
| FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.78 | |
| FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.78 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.72 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.7 | |
| XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.7 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.76 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.72 | |