Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00690714
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 | 0.76 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.77 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.77 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.77 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.77 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.77 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.77 | |
MQ7 | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.77 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.77 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.77 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.77 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.77 | |
DXA | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE | A,B | 1CP8 | 0.7 | |
LEG | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.73 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.73 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.73 | |
9TA | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.77 | |
PQN | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.79 | |
PQN | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.79 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.79 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.79 | |
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 | 0.79 | |
IBP | IBUPROFEN | A | 3FKX | 0.75 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.75 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.75 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.75 | |
IBP | IBUPROFEN | A | 2PWS | 0.75 | |
DXB | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE | A,B | 1BP8 | 0.7 | |
254 | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FD0 | 0.72 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.77 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.77 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.77 | |
MQ9 | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.77 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.72 | |
184 | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.77 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.83 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.71 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.71 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.71 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B,C,D | 1VAQ | 0.71 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.75 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.75 | |
VK3 | MENADIONE | A | 1TUV | 0.76 | |
VK3 | MENADIONE | A,B | 2QR2 | 0.76 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.7 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.7 | |
MQ8 | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.77 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.71 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.79 | |
BZQ | DIPHENYLMETHANONE | A,B | 1GT5 | 0.71 | |
BZQ | DIPHENYLMETHANONE | A,B | 1DZP | 0.71 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.75 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.75 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.75 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.75 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.75 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.75 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.77 | |
OX1 | H,Y | 1LO2 | 0.71 | ||
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.73 | |
DMW | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.76 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.71 | |
26C | A,B | 2F7I | 0.73 | ||
BFL | A,B | 1Q4G | 0.77 | ||
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 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.71 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.72 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.75 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.74 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.74 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.71 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.7 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.7 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.7 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.7 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.7 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.7 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.7 | |
FBC | A,B | 2B9A | 0.73 | ||
EQI | EQUILIN | A,B | 1EQU | 0.71 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.75 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.75 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.74 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 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 | 0.79 | |
4FC | A | 1YSG | 0.73 | ||
HSI | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.73 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.8 | |
EQU | EQUILENIN | A,B | 1OGX | 0.71 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.71 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.71 | |
EQU | EQUILENIN | A | 1W6Y | 0.71 | |
EQU | EQUILENIN | A,B | 1CQS | 0.71 | |
EQU | EQUILENIN | A | 1OGZ | 0.71 | |
EQU | EQUILENIN | A | 1GS3 | 0.71 | |
EQU | EQUILENIN | A | 1OHO | 0.71 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.71 | |
KTP | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID | A,B | 1KYN | 0.74 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.8 | |
TRZ | TRAZEOLIDE | A | 1C12 | 0.75 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 146D | 0.7 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 207D | 0.7 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.74 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.74 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.74 |