MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02222061

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
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.73
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.75
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.75
EZT	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL	A,B	2P15	0.73
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.72
SMN	(S)-MANDELIC ACID	A	1MDL	0.72
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.75
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.75
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.75
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.74
B08		A,B	2E99	0.72
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.74
PIT	PICEATANNOL	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ1	0.7
BFL		A,B	1Q4G	0.71
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.77
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
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.73
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.75
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.75
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
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.75
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.73
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.73
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.72
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.77
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.72
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.72
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.77
SS1	1-PHENYLETHANOL	H	1UM5	0.78
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
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.79
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.71
PCR	P-CRESOL	A	1JHV	0.71
PCR	P-CRESOL	A	1JHU	0.71
PCR	P-CRESOL	A,B,C,D	1DIQ	0.71
ANF	ANTHRONE	H	2BJM	0.72
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.73
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.75
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.76
341	(3,5-difluorophenyl)methanol	C	3EON	0.77
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.78
178	4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL	A,B	1TVE	0.7
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	0.73
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.72
BDB		A,B	1KE3	0.7
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.77
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
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.7
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.75
CRS	M-CRESOL	A,B,C,D	1EV3	0.7
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.7
CRS	M-CRESOL	A,B	1UZ9	0.7
CRS	M-CRESOL	A,B,C,D	1ZEH	0.7
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.7
CRS	M-CRESOL	A,C,D,E	7INS	0.7
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.7
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.74
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.73
26C		A,B	2F7I	0.75
1NP	1-NAPHTHOL	X	2ZVQ	0.74
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.74
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.7
2LP	2-ALLYLPHENOL	A	1OV5	0.75
BPM	4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN	A	1AAX	0.71
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.78
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.78
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.78
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.73
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.73
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.73
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.73
PEL	2-PHENYL-ETHANOL	A	1EYW	0.73
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.73
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.73
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.79
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.79
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.79
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.79
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.79
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.79
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.79
MCT	4-METHYLCATECHOL	A	1L4G	0.7
MCT	4-METHYLCATECHOL	A	2EHZ	0.7
MCT	4-METHYLCATECHOL	A,B	1DMH	0.7
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.74
OBP		A,B	2DE3	0.71
RMN	(R)-MANDELIC ACID	A	1MDL	0.72
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.72
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.81
4FC		A	1YSG	0.74
ETY	4-ethylphenol	A,B,C,D	2RA6	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.78
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.78
FBC		A,B	2B9A	0.75
B28		A,B	2E9A	0.71
MBD	3-METHYLCATECHOL	A	1KNF	0.71
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.73
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.78
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.77
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.77
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.77
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.74
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.75
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.75
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.71
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.73
LJ3	3,5-dibromobiphenyl-4-ol	A,B	3CN2	0.7
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.79