Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015291
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 |
4A3 | 4-AMINO-3-HYDROXYBENZOIC ACID | A,B | 2HDR | 0.74 | |
MIX | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)- 9,10-ANTHRACENEDIONE | A,B,C,D | 2FUM | 0.8 | |
DB1 | 2,3-DIHYDROXYBENZAMIDE | A,B,C | 1X71 | 0.73 | |
KYN | KYNURENINE | A,B,C,D | 2R2N | 0.71 | |
KYN | KYNURENINE | A,B | 3E2Z | 0.71 | |
KYN | KYNURENINE | A | 1XT7 | 0.71 | |
KYN | KYNURENINE | A | 1T5M | 0.71 | |
KYN | KYNURENINE | A | 1T5N | 0.71 | |
KYN | KYNURENINE | A | 2VOV | 0.71 | |
KYN | KYNURENINE | A | 2VOX | 0.71 | |
MHB | A,B | 1SRG | 0.82 | ||
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBC | 0.75 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1PBF | 0.75 | |
BHA | 2-HYDROXY-4-AMINOBENZOIC ACID | A | 1SXK | 0.75 | |
A75 | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | A | 1YW8 | 0.74 | |
DZ1 | N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide | A,B | 3ESN | 0.71 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.74 | |
OFL | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.7 | |
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.73 | |
NAB | A,B | 1SRJ | 0.86 | ||
421 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.74 | |
135 | N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE | B | 1GJA | 0.73 | |
MIY | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)- 3,10,12,12A-TETRAHYDROXY-1,11-DIOXO- 1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE- 2-CARBOXAMIDE | A | 2DRD | 0.75 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.72 | |
HNA | 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE | A | 1M2P | 0.9 | |
BIE | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE | A,B | 2CL5 | 0.72 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.71 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.71 | |
FLF | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.71 | |
N3P | N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE- 2-CARBOXAMIDE | A,B,C,D | 2OT1 | 0.71 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A,B | 1U1W | 0.77 | |
3HA | 3-HYDROXYANTHRANILIC ACID | A | 1YFY | 0.77 | |
TY2 | 3-AMINO-L-TYROSINE | A,B | 2VH3 | 0.71 | |
NU1 | 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE | A | 4PAX | 0.71 | |
6CA | A | 2FLM | 0.72 | ||
P2C | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID | A,B | 1U21 | 0.7 | |
DMB | A,B | 1SRI | 0.81 | ||
709 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.77 | |
HAB | A,B | 1SRE | 0.81 | ||
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.7 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.73 | |
968 | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.76 | |
44C | A | 2FBR | 0.72 | ||
761 | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.71 | |
LJ5 | N-(3,5-dibromo-4-hydroxyphenyl)benzamide | A,B | 3CN4 | 0.7 | |
MOY | [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN- 5-YL](PHENYL)METHANONE | A,B | 2IEH | 0.71 | |
C00 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BYX | 0.73 | |
C00 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BZ0 | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D,E,F, G,H | 1F8S | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | E,I | 1ZFP | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2HU8 | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 1AN9 | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2GVQ | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2YR6 | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A,I | 1E8N | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 1ZYK | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A | 1C0I | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A,B | 2JB3 | 0.73 | |
BE2 | 2-AMINOBENZOIC ACID | A,B,C,D | 2E4A | 0.73 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.71 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.71 | |
MTB | A,B | 1SRF | 0.82 | ||
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.72 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.72 | |
MNX | 1,8-DI-HYDROXY-4-NITRO-XANTHEN- 9-ONE | A | 1M2Q | 0.71 | |
KY1 | 4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | A,B,C,D | 2CH2 | 0.74 | |
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 | |
MNY | 5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE | A | 1M2R | 0.93 |