Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02338458
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 |
675 | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE | A | 1OWE | 0.74 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.73 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.73 | |
2UN | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.7 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.71 | |
IBR | A | 9EST | 0.71 | ||
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.71 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.71 | |
4AN | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.76 | |
DPZ | 3,5-DIAMINOPHTHALHYDRAZIDE | A | 1F3E | 0.72 | |
CRI | A,B | 1VKG | 0.74 | ||
ISN | ISATIN | A,B | 1OJA | 0.73 | |
ISN | ISATIN | A,B | 2BK5 | 0.73 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.71 | |
NID | 4-NITRO-INDEN-1-ONE | A,B | 1DOH | 0.72 | |
605 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.75 | |
C16 | 4-(4-methyl-1,3-dioxo-1,3-dihydro- 2H-isoindol-2-yl)benzonitrile | A | 3BNZ | 0.71 | |
APZ | 4-AMINOPHTHALHYDRAZIDE | A | 1ENU | 0.77 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.92 | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.75 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.72 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.72 | |
BVA | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE | B,C | 2P8O | 0.75 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.74 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.72 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.72 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | |
GW9 | 2-chloro-5-nitro-N-phenylbenzamide | A,D | 3E00 | 0.74 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.71 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.72 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.75 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.72 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.74 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.72 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.72 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.74 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.74 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1Q41 | 0.71 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A,B | 1UNH | 0.71 | |
IXM | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE- 3,2'-DIONE-3-OXIME | A | 2QKR | 0.71 | |
MRA | 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]- 3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE | A | 2P55 | 0.71 | |
239 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.7 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.72 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.72 | |
KYN | KYNURENINE | A | 1XT7 | 0.72 | |
KYN | KYNURENINE | A | 1T5M | 0.72 | |
KYN | KYNURENINE | A | 1T5N | 0.72 | |
KYN | KYNURENINE | A | 2VOV | 0.72 | |
KYN | KYNURENINE | A | 2VOX | 0.72 | |
TSN | TRICHOSTATIN A | A,B | 1T64 | 0.75 | |
TSN | TRICHOSTATIN A | A,B | 1C3R | 0.75 | |
TSN | TRICHOSTATIN A | A,B,C | 3F0R | 0.75 | |
TSN | TRICHOSTATIN A | A,B,C | 3C10 | 0.75 | |
HBC | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.71 | |
AQO | 2-AMINOQUINAZOLIN-4(3H)-ONE | A | 1S39 | 0.75 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.7 | |
MAQ | 2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE | A | 1S38 | 0.71 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.75 | |
BSB | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.72 | |
BOS | N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE | A | 2HD6 | 0.8 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.75 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.71 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.71 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.71 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.71 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.71 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.79 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.71 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.71 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.73 | |
BHO | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.76 | |
BHO | BENZHYDROXAMIC ACID | A | 1HSR | 0.76 | |
BHO | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.76 | |
BHO | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.76 | |
BHO | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.76 | |
BHO | BENZHYDROXAMIC ACID | A | 3GCK | 0.76 | |
BHO | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.76 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.72 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.71 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.71 | |
SX3 | 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin- 1-yl]carbonyl}aniline | A,B | 3CJ2 | 0.73 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.76 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.72 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.72 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.72 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.72 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.72 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.73 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.73 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.73 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.73 |