MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01540692

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
AS0	4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME	A	2OVH	0.78
AS0	4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME	A	2OVM	0.78
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
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.73
BFL		A,B	1Q4G	0.71
ESO	O3-PHOSPHONOESTRONE	B,C	1ESS	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
EQU	EQUILENIN	A,B	1OGX	0.73
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.73
EQU	EQUILENIN	A,B	1OH0	0.73
EQU	EQUILENIN	A	1W6Y	0.73
EQU	EQUILENIN	A,B	1CQS	0.73
EQU	EQUILENIN	A	1OGZ	0.73
EQU	EQUILENIN	A	1GS3	0.73
EQU	EQUILENIN	A	1OHO	0.73
HE7	4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid	A,B,C,D	2Z77	0.7
ESL	ESTRIOL	A	1X8V	0.71
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.72
E3O	(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL	A	2J7Y	0.71
EED	(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL	A,B	2QGT	0.7
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.73
EQI	EQUILIN	A,B	1EQU	0.78
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
486	11-(4-DIMETHYLAMINO-PHENYL)-17- HYDROXY-13-METHYL-17-PROP-1-YNYL- 1,2,6,7,8,11,12,13,14,15,16,17- DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN- 3-ONE	A	1NHZ	0.7
486	11-(4-DIMETHYLAMINO-PHENYL)-17- HYDROXY-13-METHYL-17-PROP-1-YNYL- 1,2,6,7,8,11,12,13,14,15,16,17- DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN- 3-ONE	A,B	2W8Y	0.7
EST	ESTRADIOL	A,B	1GWR	0.73
EST	ESTRADIOL	A	1FDS	0.73
EST	ESTRADIOL	A,B,C	1G50	0.73
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.73
EST	ESTRADIOL	A,B	1A52	0.73
EST	ESTRADIOL	A	1FDT	0.73
EST	ESTRADIOL	A	2OCF	0.73
EST	ESTRADIOL	A,B,C	1QKU	0.73
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.73
EST	ESTRADIOL	A	1IOL	0.73
EST	ESTRADIOL	H	1JNN	0.73
EST	ESTRADIOL	B	1QKT	0.73
EST	ESTRADIOL	A	1FDW	0.73
EST	ESTRADIOL	A,B	1AQU	0.73
EST	ESTRADIOL	A	1LHU	0.73
EST	ESTRADIOL	A	1A27	0.73
EST	ESTRADIOL	L	1JGL	0.73
EST	ESTRADIOL	A,B,E,F	1PCG	0.73
EST	ESTRADIOL	A,B,C,D	1FDU	0.73
EST	ESTRADIOL	A	2J7X	0.73
EST	ESTRADIOL	A,B	2D06	0.73
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.73
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	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	0.75
TES	TESTOSTERONE	A	1JTV	0.73
TES	TESTOSTERONE	A	2Q7L	0.73
TES	TESTOSTERONE	A	2Q7I	0.73
TES	TESTOSTERONE	A,B	1J96	0.73
TES	TESTOSTERONE	A	2Q7K	0.73
TES	TESTOSTERONE	A,B	1Q13	0.73
TES	TESTOSTERONE	H	1I9J	0.73
TES	TESTOSTERONE	A,B	1AFS	0.73
TES	TESTOSTERONE	H	1VPO	0.73
TES	TESTOSTERONE	A	2Q7J	0.73
TES	TESTOSTERONE	A,B	3BUR	0.73
TES	TESTOSTERONE	A	2AM9	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.73
TRZ	TRAZEOLIDE	A	1C12	0.77
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.76
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.71
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.71
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.71
1CA	DESOXYCORTICOSTERONE	A	2AA7	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	0.81
FBR	(9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one	A	2GIU	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.72
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	0.75
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.74
DRQ	(9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL	A,B	2G5O	0.71
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
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.73
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.73
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.73
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.77
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.73
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.73
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.73
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.73
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	0.73