MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02180339

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
EZT	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL	A,B	2P15	0.73
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.7
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
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.72
FLP	FLURBIPROFEN	A,B	1CQE	0.72
FLP	FLURBIPROFEN	A,B	1EQH	0.72
FLP	FLURBIPROFEN	A,B	2AYL	0.72
FLP	FLURBIPROFEN	A	1DVT	0.72
FLP	FLURBIPROFEN	A	1R9O	0.72
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.71
ESO	O3-PHOSPHONOESTRONE	B,C	1ESS	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.72
IBP	IBUPROFEN	A	3FKX	0.74
IBP	IBUPROFEN	A,B	2BXG	0.74
IBP	IBUPROFEN	A,B	1EQG	0.74
IBP	IBUPROFEN	A,B,C	2WD9	0.74
IBP	IBUPROFEN	A	2PWS	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	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.73
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.73
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.73
AS0	4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME	A	2OVH	0.75
AS0	4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME	A	2OVM	0.75
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
EQU	EQUILENIN	A,B	1OGX	0.77
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.77
EQU	EQUILENIN	A,B	1OH0	0.77
EQU	EQUILENIN	A	1W6Y	0.77
EQU	EQUILENIN	A,B	1CQS	0.77
EQU	EQUILENIN	A	1OGZ	0.77
EQU	EQUILENIN	A	1GS3	0.77
EQU	EQUILENIN	A	1OHO	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.75
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
EQI	EQUILIN	A,B	1EQU	0.78
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.75
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.72
HCI	HYDROCINNAMIC ACID	A	1TOI	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.72
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.72
SDT	3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione	A,B	2ZI8	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	0.75
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.78
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.73
TRZ	TRAZEOLIDE	A	1C12	0.77
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.81
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.81
E04	3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN- 17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN	A	1ZQ5	0.72
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
EST	ESTRADIOL	A,B	1GWR	0.71
EST	ESTRADIOL	A	1FDS	0.71
EST	ESTRADIOL	A,B,C	1G50	0.71
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.71
EST	ESTRADIOL	A,B	1A52	0.71
EST	ESTRADIOL	A	1FDT	0.71
EST	ESTRADIOL	A	2OCF	0.71
EST	ESTRADIOL	A,B,C	1QKU	0.71
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.71
EST	ESTRADIOL	A	1IOL	0.71
EST	ESTRADIOL	H	1JNN	0.71
EST	ESTRADIOL	B	1QKT	0.71
EST	ESTRADIOL	A	1FDW	0.71
EST	ESTRADIOL	A,B	1AQU	0.71
EST	ESTRADIOL	A	1LHU	0.71
EST	ESTRADIOL	A	1A27	0.71
EST	ESTRADIOL	L	1JGL	0.71
EST	ESTRADIOL	A,B,E,F	1PCG	0.71
EST	ESTRADIOL	A,B,C,D	1FDU	0.71
EST	ESTRADIOL	A	2J7X	0.71
EST	ESTRADIOL	A,B	2D06	0.71
OX1		H,Y	1LO2	0.75
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.72
BFL		A,B	1Q4G	0.74
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.72
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.72