MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02382009

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
LAX	EICOSA-8,11,14-TRIENOIC ACID	A	1FE2	0.7
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.73
803	LOVASTATIN	A,B	1CQP	0.73
2OB	CHOLESTERYL OLEATE	A	2OBD	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.8
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.8
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.8
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.8
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.8
MVB	(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO- 7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO- 4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]- 1-NAPHTHALENOL	A,B,C	1YA8	0.74
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.79
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.71
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.76
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1E3G	0.76
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A,B	1E3K	0.76
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	2AO6	0.76
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XOW	0.76
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XQ3	0.76
CLR	CHOLESTEROL	A,B	2ZXE	0.7
CLR	CHOLESTEROL	A	1N83	0.7
CLR	CHOLESTEROL	A	2RH1	0.7
CLR	CHOLESTEROL	A	1LRI	0.7
CLR	CHOLESTEROL	A	1ZHY	0.7
CLR	CHOLESTEROL	A	3D4S	0.7
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.87
STR	PROGESTERONE	A	1H60	0.73
STR	PROGESTERONE	A,B,C	1YA3	0.73
STR	PROGESTERONE	A,B	2AA6	0.73
STR	PROGESTERONE	A	1MRQ	0.73
STR	PROGESTERONE	A,B	1A28	0.73
STR	PROGESTERONE	A,B	2AA5	0.73
STR	PROGESTERONE	A	2HZQ	0.73
STR	PROGESTERONE	A	1W0F	0.73
STR	PROGESTERONE	A	2ABA	0.73
STR	PROGESTERONE	A,B	3COT	0.73
STR	PROGESTERONE	H	1DBB	0.73
STR	PROGESTERONE	H,L	2O5Y	0.73
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.86
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.8
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.8
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.8
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.78
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.78
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.78
C0R	CORTICOSTERONE	A	2A3I	0.76
C0R	CORTICOSTERONE	A,B	1Y5R	0.76
AS4	ALDOSTERONE	A	2AA2	0.72
AS4	ALDOSTERONE	A	2Q1H	0.72
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.79
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.82
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.77
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.77
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.7
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.73
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.73
GR3	3-ACETOXY-17-(1-FORMYL-5-METHYL- 3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14- TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE- 4-CARBOXYLIC ACID	B,D	1AWH	0.71
OLA	OLEIC ACID	A	1VYF	0.7
OLA	OLEIC ACID	A	2EV4	0.7
OLA	OLEIC ACID	A	1FK5	0.7
OLA	OLEIC ACID	A	1FE3	0.7
OLA	OLEIC ACID	A,B	2AG4	0.7
OLA	OLEIC ACID	A,B	1J78	0.7
OLA	OLEIC ACID	A	2E9L	0.7
OLA	OLEIC ACID	A,B	2EV1	0.7
OLA	OLEIC ACID	A	1GNI	0.7
OLA	OLEIC ACID	A	1SX6	0.7
OLA	OLEIC ACID	A	2E9M	0.7
OLA	OLEIC ACID	A	2FLJ	0.7
OLA	OLEIC ACID	A	2ZOX	0.7
OLA	OLEIC ACID	A	2AF9	0.7
OLA	OLEIC ACID	A,B,C	2AG2	0.7
OLA	OLEIC ACID	A	2JU8	0.7
OLA	OLEIC ACID	A,B	1GT6	0.7
OLA	OLEIC ACID	A,B,C	1PMP	0.7
OLA	OLEIC ACID	A,B	1DKF	0.7
OLA	OLEIC ACID	A	1ICN	0.7
OLA	OLEIC ACID	A	1G74	0.7
OLA	OLEIC ACID	A,B	1J7E	0.7
OLA	OLEIC ACID	A	1LFO	0.7
OLA	OLEIC ACID	A	1HMS	0.7
OLA	OLEIC ACID	A	2EV3	0.7
OLA	OLEIC ACID	A	2EV2	0.7
OLA	OLEIC ACID	A	2FTB	0.7
OLA	OLEIC ACID	A	1LID	0.7
LAN	LANOSTEROL	A	1W6K	0.7
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A,B	3CAS	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A	1QYX	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D	2VCT	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A	1EUP	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2VCV	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A	3EQM	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A	1XF0	0.73
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.7
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.73
LNL	ALPHA-LINOLENIC ACID	A	2BYO	0.71
LNL	ALPHA-LINOLENIC ACID	A	1FK6	0.71
ELA	9-OCTADECENOIC ACID	A	1HMR	0.7
NER	(15E)-TETRACOS-15-ENOIC ACID	A	2EUK	0.7
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.79
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.79
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.79
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.79
EIC	LINOLEIC ACID	A	2Q9S	0.7
EIC	LINOLEIC ACID	A	2EVL	0.7
EIC	LINOLEIC ACID	A	1IGZ	0.7
PAM	PALMITOLEIC ACID	A,B,C,D	1SMJ	0.71
PAM	PALMITOLEIC ACID	A,B,C	1IZO	0.71
PAM	PALMITOLEIC ACID	A,B,C,D	1FAG	0.71
PAM	PALMITOLEIC ACID	A	1FK3	0.71
PAM	PALMITOLEIC ACID	A,B	3EKD	0.71
PAM	PALMITOLEIC ACID	A	2UUH	0.71
PAM	PALMITOLEIC ACID	A,B	1YH8	0.71
PAM	PALMITOLEIC ACID	A,B	1YHC	0.71
PAM	PALMITOLEIC ACID	A	1UVB	0.71
DEX	DEXAMETHASONE	A,D	1M2Z	0.72
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.72
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.79
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.79
NTH	SUCCINIC ACID MONO-(13-METHYL-3- OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 17-YL) ESTER	A,B	1BUQ	0.79
0AS	asiatic acid	A	2QN1	0.81
LVA	(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6- DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}- 1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL)-3,5-DIHYDROXYHEPTANOIC ACID	A,B	1T02	0.71
114	COMPACTIN	A,B,C,D	1HW8	0.71
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.79
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.79
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.76
0MA	maslinic acid	A	2QN2	0.83
OPD	9R,13R-12-OXOPHYTODIENOIC ACID	A,B	1ICQ	0.74
TES	TESTOSTERONE	A	1JTV	0.8
TES	TESTOSTERONE	A	2Q7L	0.8
TES	TESTOSTERONE	A	2Q7I	0.8
TES	TESTOSTERONE	A,B	1J96	0.8
TES	TESTOSTERONE	A	2Q7K	0.8
TES	TESTOSTERONE	A,B	1Q13	0.8
TES	TESTOSTERONE	H	1I9J	0.8
TES	TESTOSTERONE	A,B	1AFS	0.8
TES	TESTOSTERONE	H	1VPO	0.8
TES	TESTOSTERONE	A	2Q7J	0.8
TES	TESTOSTERONE	A,B	3BUR	0.8
TES	TESTOSTERONE	A	2AM9	0.8
VCA	VACCENIC ACID	A,B	2BAW	0.7
VCA	VACCENIC ACID	A,B	2B50	0.7
VCA	VACCENIC ACID	B	2ACO	0.7
VCA	VACCENIC ACID	A,B	2AWH	0.7