Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00448822
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 |
421 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.72 | |
4A3 | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.74 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.73 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.73 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.73 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.73 | |
ST4 | 4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID | A | 1INF | 0.73 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.73 | |
ST5 | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.73 | |
878 | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.71 | |
2UN | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.7 | |
UN7 | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID | A | 2F71 | 0.75 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.73 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.73 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.73 | |
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.78 | |
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 | |
254 | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FD0 | 0.7 | |
A84 | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP- 1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8-TETRAHYDRONAPHTHALENE-1- CARBOXYLIC ACID | A | 1YW9 | 0.76 | |
FBC | A,B | 2B9A | 0.71 | ||
961 | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 4LBD | 0.73 | |
961 | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXX | 0.73 | |
DZ1 | N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide | A,B | 3ESN | 0.71 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.78 | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.72 | |
LZQ | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.71 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.73 | |
MTB | A,B | 1SRF | 0.77 | ||
4FC | A | 1YSG | 0.71 | ||
HNA | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.71 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C,D,E,F | 2PQF | 0.88 | |
GAB | 3-AMINOBENZOIC ACID | A,B | 3GSB | 0.88 | |
GAB | 3-AMINOBENZOIC ACID | A,B,C | 1GBN | 0.88 | |
GAB | 3-AMINOBENZOIC ACID | A | 3FHB | 0.88 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.72 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1F42 | 0.7 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 1RXE | 0.7 | |
MNB | 5-MERCAPTO-2-NITRO-BENZOIC ACID | A | 2PER | 0.7 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.78 | |
GIS | ETHYL-(2-CARBOXY-4-GUANIDINIUM- PHENYL)-CHLOROACETATE | E | 8EST | 0.72 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.82 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.82 | |
201 | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.78 | |
SX1 | 2-amino-5-bromobenzoic acid | A,B | 3CIZ | 0.76 | |
U14 | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID | A | 2GG7 | 0.8 | |
26C | A,B | 2F7I | 0.71 | ||
25D | 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen- 2-yl)carbonyl]-D-alanine | A,B | 3DD1 | 0.71 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.79 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.79 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.79 | |
4NB | 4-NITROBENZOIC ACID | A,B | 3CHT | 0.76 | |
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.77 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.81 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.71 | |
EOZ | 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID | A,B,C,D | 2FZK | 0.74 | |
ICU | METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE | A | 1JIM | 0.78 | |
HAB | A,B | 1SRE | 0.77 | ||
AZY | 3-AZIDO-L-TYROSINE | A | 2YXN | 0.71 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.7 | |
4MB | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.8 | |
794 | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID | A | 1NO6 | 0.76 | |
ST6 | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.74 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.76 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.76 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | B,C | 2BNI | 0.77 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5K | 0.77 | |
TYZ | PARA ACETAMIDO BENZOIC ACID | A | 1W5J | 0.77 | |
A41 | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.8 | |
C9P | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen- 2-yl]sulfonyl}amino)benzoic acid | A,B | 3BM6 | 0.7 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.77 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.77 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.72 | |
989 | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.74 | |
394 | R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXA | 0.73 | |
MAZ | FORMIC ACID 3-AMINO-BENZYL ESTER | H,L | 1JYQ | 0.7 | |
NAB | A,B | 1SRJ | 0.79 | ||
ST3 | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID | A,B | 1IVE | 0.77 | |
DMB | A,B | 1SRI | 0.79 | ||
IBR | A | 9EST | 0.78 | ||
A75 | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | A | 1YW8 | 0.82 | |
FDI | 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID | A | 1B9S | 0.75 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2ITK | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | H,I | 4THN | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2Q5A | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZWU | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1SKL | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | H,I | 5GDS | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZH0 | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2JT9 | 0.73 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.71 | |
MR2 | 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE | A | 1TSM | 0.7 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.77 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.77 | |
761 | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.82 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.72 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.71 | |
PAB | 4-AMINOBENZOIC ACID | A | 1PBD | 0.84 | |
PAB | 4-AMINOBENZOIC ACID | B | 2DZA | 0.84 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUS | 0.84 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUU | 0.84 | |
PAB | 4-AMINOBENZOIC ACID | A | 1IUT | 0.84 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.77 | |
MNP | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.7 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.71 | |
709 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.72 | |
GBS | 4-GUANIDINOBENZOIC ACID | X | 2AH4 | 0.75 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1GBT | 0.75 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 1RTK | 0.75 | |
GBS | 4-GUANIDINOBENZOIC ACID | A | 3DFL | 0.75 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.7 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.7 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.71 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.71 | |
F77 | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID | A | 2EA2 | 0.79 | |
MHB | A,B | 1SRG | 0.77 | ||
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.7 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.7 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.7 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.7 | |
968 | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.71 | |
679 | 2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID | A,B | 1Q4L | 0.71 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.73 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.73 | |
KYN | KYNURENINE | A | 1XT7 | 0.73 | |
KYN | KYNURENINE | A | 1T5M | 0.73 | |
KYN | KYNURENINE | A | 1T5N | 0.73 | |
KYN | KYNURENINE | A | 2VOV | 0.73 | |
KYN | KYNURENINE | A | 2VOX | 0.73 | |
AAN | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.72 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3GT4 | 0.76 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3T | 0.76 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3D | 0.76 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E3S | 0.76 | |
I3C | 5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid | A | 3E79 | 0.76 | |
2T1 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.72 | |
PIC | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID | A | 1BZJ | 0.72 | |
4AN | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.73 | |
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.71 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.77 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.76 | |
IDB | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.76 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.71 | |
MNY | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.74 |