MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02413968

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
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.8
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.8
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.73
ANF	ANTHRONE	H	2BJM	0.78
EZT	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL	A,B	2P15	0.73
B08		A,B	2E99	0.77
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.75
BFL		A,B	1Q4G	0.71
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.78
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.78
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.78
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.75
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.77
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.8
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.71
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.71
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.74
4FC		A	1YSG	0.76
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.79
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.7
196	3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE	A,B	1YYE	0.75
CRS	M-CRESOL	A,B,C,D	1EV3	0.72
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.72
CRS	M-CRESOL	A,B	1UZ9	0.72
CRS	M-CRESOL	A,B,C,D	1ZEH	0.72
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.72
CRS	M-CRESOL	A,C,D,E	7INS	0.72
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.72
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.76
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.7
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.73
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.72
178	4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL	A,B	1TVE	0.7
2LP	2-ALLYLPHENOL	A	1OV5	0.76
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.75
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.75
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.75
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.75
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.75
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.75
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.75
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.73
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.74
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.77
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.74
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.74
341	(3,5-difluorophenyl)methanol	C	3EON	0.78
STL	RESVERATROL	A,B	3CKL	0.71
STL	RESVERATROL	A,B,C,D	1U0W	0.71
STL	RESVERATROL	A	1CGZ	0.71
STL	RESVERATROL	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JIZ	0.71
STL	RESVERATROL	A	1Z1F	0.71
STL	RESVERATROL	A	1DVS	0.71
STL	RESVERATROL	A,B	1SG0	0.71
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.8
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.8
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.8
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.72
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.72
8PP	2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL	A,B,C,D	1Y0G	0.74
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.81
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.74
26C		A,B	2F7I	0.75
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.78
PCR	P-CRESOL	A	1JHV	0.72
PCR	P-CRESOL	A	1JHU	0.72
PCR	P-CRESOL	A,B,C,D	1DIQ	0.72
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.74
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.8
BPM	4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN	A	1AAX	0.71
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.75
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.72
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.72
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.81
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.71
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.75
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.76
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.75
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.75
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.75
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.75
PEL	2-PHENYL-ETHANOL	A	1EYW	0.75
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.75
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.76
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.76
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.76
OBP		A,B	2DE3	0.71
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.78
OX1		H,Y	1LO2	0.72
LJ3	3,5-dibromobiphenyl-4-ol	A,B	3CN2	0.72
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.74
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.73
1NP	1-NAPHTHOL	X	2ZVQ	0.77
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.76
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.76
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.74
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.76
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.72
FBC		A,B	2B9A	0.75
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.78
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.76
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.76
B28		A,B	2E9A	0.76
ETY	4-ethylphenol	A,B,C,D	2RA6	0.74
SS1	1-PHENYLETHANOL	H	1UM5	0.8
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.73
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.73
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.76
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.77
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.77
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.76
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.72