Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02184629
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 |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.73 | |
AS0 | 4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME | A | 2OVH | 0.7 | |
AS0 | 4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME | A | 2OVM | 0.7 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.71 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.8 | |
FBR | (9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one | A | 2GIU | 0.77 | |
BFL | A,B | 1Q4G | 0.71 | ||
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.72 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.73 | |
FBC | A,B | 2B9A | 0.71 | ||
DRQ | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.74 | |
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 | |
4FC | A | 1YSG | 0.71 | ||
ESO | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.79 | |
HE7 | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.74 | |
26C | A,B | 2F7I | 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 | 0.73 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.73 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.73 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.72 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 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 | 0.71 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.74 | |
2E3 | (2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid | A | 3FUG | 0.73 | |
EQU | EQUILENIN | A,B | 1OGX | 0.82 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.82 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.82 | |
EQU | EQUILENIN | A | 1W6Y | 0.82 | |
EQU | EQUILENIN | A,B | 1CQS | 0.82 | |
EQU | EQUILENIN | A | 1OGZ | 0.82 | |
EQU | EQUILENIN | A | 1GS3 | 0.82 | |
EQU | EQUILENIN | A | 1OHO | 0.82 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.71 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.71 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.72 | |
EST | ESTRADIOL | A,B | 1GWR | 0.76 | |
EST | ESTRADIOL | A | 1FDS | 0.76 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.76 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.76 | |
EST | ESTRADIOL | A,B | 1A52 | 0.76 | |
EST | ESTRADIOL | A | 1FDT | 0.76 | |
EST | ESTRADIOL | A | 2OCF | 0.76 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.76 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.76 | |
EST | ESTRADIOL | A | 1IOL | 0.76 | |
EST | ESTRADIOL | H | 1JNN | 0.76 | |
EST | ESTRADIOL | B | 1QKT | 0.76 | |
EST | ESTRADIOL | A | 1FDW | 0.76 | |
EST | ESTRADIOL | A,B | 1AQU | 0.76 | |
EST | ESTRADIOL | A | 1LHU | 0.76 | |
EST | ESTRADIOL | A | 1A27 | 0.76 | |
EST | ESTRADIOL | L | 1JGL | 0.76 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.76 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.76 | |
EST | ESTRADIOL | A | 2J7X | 0.76 | |
EST | ESTRADIOL | A,B | 2D06 | 0.76 | |
EQI | EQUILIN | A,B | 1EQU | 0.82 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.72 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.72 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.81 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.74 | |
OX1 | H,Y | 1LO2 | 0.75 | ||
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.81 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.72 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.72 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.72 | |
ESL | ESTRIOL | A | 1X8V | 0.74 | |
SDT | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.76 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.7 | |
AOE | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.74 | |
IBP | IBUPROFEN | A | 3FKX | 0.71 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.71 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.71 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.71 | |
IBP | IBUPROFEN | A | 2PWS | 0.71 | |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.75 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.7 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.7 | |
EZT | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.76 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.71 | |
ENM | (5S,8R,9S,10S,13R,14S,17S)-13-{2- [(3,5-DIFLUOROBENZYL)OXY]ETHYL}- 17-HYDROXY-10-METHYLHEXADECAHYDRO- 3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | A | 2PNU | 0.83 | |
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 | |
TRZ | TRAZEOLIDE | A | 1C12 | 0.73 | |
ECS | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.72 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.73 |