MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03081116

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
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.73
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.73
CO1	17-[3-(3,3-DIMETHYL-OXIRANYL)-1- METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 3-OL	A,B	1P8D	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.7
FUA	FUSIDIC ACID	A	1QCA	0.72
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.72
FUA	FUSIDIC ACID	A,B	2VUF	0.72
AXT	ASTAXANTHIN	A,B	1GKA	0.71
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.94
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.79
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.75
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.91
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.91
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.91
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.91
CLR	CHOLESTEROL	A,B	2ZXE	0.74
CLR	CHOLESTEROL	A	1N83	0.74
CLR	CHOLESTEROL	A	2RH1	0.74
CLR	CHOLESTEROL	A	1LRI	0.74
CLR	CHOLESTEROL	A	1ZHY	0.74
CLR	CHOLESTEROL	A	3D4S	0.74
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.83
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.81
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.81
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.81
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.9
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.9
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.9
0MA	maslinic acid	A	2QN2	0.74
AS4	ALDOSTERONE	A	2AA2	0.91
AS4	ALDOSTERONE	A	2Q1H	0.91
STR	PROGESTERONE	A	1H60	0.74
STR	PROGESTERONE	A,B,C	1YA3	0.74
STR	PROGESTERONE	A,B	2AA6	0.74
STR	PROGESTERONE	A	1MRQ	0.74
STR	PROGESTERONE	A,B	1A28	0.74
STR	PROGESTERONE	A,B	2AA5	0.74
STR	PROGESTERONE	A	2HZQ	0.74
STR	PROGESTERONE	A	1W0F	0.74
STR	PROGESTERONE	A	2ABA	0.74
STR	PROGESTERONE	A,B	3COT	0.74
STR	PROGESTERONE	H	1DBB	0.74
STR	PROGESTERONE	H,L	2O5Y	0.74
0AS	asiatic acid	A	2QN1	0.72
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.85
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.85
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.85
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.85
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.85
AE2	AETIOCHOLANOLONE	A	2QP4	0.7
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.7
AE2	AETIOCHOLANOLONE	A	2QP3	0.7
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.7
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.7
AE2	AETIOCHOLANOLONE	H	1DBJ	0.7
AE2	AETIOCHOLANOLONE	A	1OV4	0.7
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	0.82
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.8
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	0.79
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.8
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.8
ERG	ERGOSTEROL	A	1BXM	0.73
ERG	ERGOSTEROL	A	1ZHZ	0.73
ERG	ERGOSTEROL	A,B	2AIB	0.73
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.8
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.8
LAN	LANOSTEROL	A	1W6K	0.72
ASD	4-ANDROSTENE-3-17-DIONE	A,B	3CAS	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	1QYX	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D	2VCT	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	1EUP	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2VCV	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	3EQM	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	1XF0	0.74
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.74
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.92
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.92
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.7
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.81
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.81
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.81
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.84
2OB	CHOLESTERYL OLEATE	A	2OBD	0.74
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.81
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1E3G	0.75
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A,B	1E3K	0.75
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	2AO6	0.75
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XOW	0.75
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XQ3	0.75
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.74
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.77
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.77
DEX	DEXAMETHASONE	A,D	1M2Z	0.97
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.97
HCR	7-HYDROXYCHOLESTEROL	A	1ZHT	0.73
TES	TESTOSTERONE	A	1JTV	0.9
TES	TESTOSTERONE	A	2Q7L	0.9
TES	TESTOSTERONE	A	2Q7I	0.9
TES	TESTOSTERONE	A,B	1J96	0.9
TES	TESTOSTERONE	A	2Q7K	0.9
TES	TESTOSTERONE	A,B	1Q13	0.9
TES	TESTOSTERONE	H	1I9J	0.9
TES	TESTOSTERONE	A,B	1AFS	0.9
TES	TESTOSTERONE	H	1VPO	0.9
TES	TESTOSTERONE	A	2Q7J	0.9
TES	TESTOSTERONE	A,B	3BUR	0.9
TES	TESTOSTERONE	A	2AM9	0.9
C0R	CORTICOSTERONE	A	2A3I	0.95
C0R	CORTICOSTERONE	A,B	1Y5R	0.95
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.86
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.74