Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00603402
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 |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.72 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.72 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.8 | ![]() |
LEG![]() | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.71 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.77 | ![]() |
9TA![]() | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.72 | ![]() |
FBC![]() | A,B | 2B9A | 0.71 | ![]() | |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.72 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.72 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.72 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.72 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.77 | ![]() |
BZM![]() | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.73 | ![]() |
VK3![]() | MENADIONE | A | 1TUV | 0.71 | ![]() |
VK3![]() | MENADIONE | A,B | 2QR2 | 0.71 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.7 | ![]() |
MQ8![]() | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.72 | ![]() |
26C![]() | A,B | 2F7I | 0.71 | ![]() | |
IBP![]() | IBUPROFEN | A | 3FKX | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.7 | ![]() |
MUF![]() | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.71 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.74 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1GT5 | 0.71 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1DZP | 0.71 | ![]() |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.74 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.78 | ![]() |
BM6![]() | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.78 | ![]() |
HPK![]() | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.71 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.75 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.72 | ![]() |
PQN![]() | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.72 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.72 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.72 | ![]() |
PQN![]() | PHYLLOQUINONE | 0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z | 1QZV | 0.72 | ![]() |
AS0![]() | 4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME | A | 2OVH | 0.71 | ![]() |
AS0![]() | 4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME | A | 2OVM | 0.71 | ![]() |
4FC![]() | A | 1YSG | 0.72 | ![]() | |
DMW![]() | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.71 | ![]() |
L79![]() | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.73 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.72 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.72 | ![]() |
BFL![]() | A,B | 1Q4G | 0.72 | ![]() | |
PHT![]() | PHTHALIC ACID | A,B,C | 2B7P | 0.7 | ![]() |
PHT![]() | PHTHALIC ACID | A | 3C2V | 0.7 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.7 | ![]() |
PHT![]() | PHTHALIC ACID | A,B | 3C2R | 0.7 | ![]() |
TRZ![]() | TRAZEOLIDE | A | 1C12 | 0.86 | ![]() |
1NH![]() | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.71 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.76 | ![]() |
HSI![]() | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.74 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.75 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.75 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.75 | ![]() |
ANQ![]() | ACENAPHTHENEQUINONE | H,J | 1OAX | 0.73 | ![]() |
E04![]() | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN- 17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | A | 1ZQ5 | 0.74 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.7 | ![]() |