MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02879173

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
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	0.7
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.8
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.73
341	(3,5-difluorophenyl)methanol	C	3EON	0.84
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.74
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.85
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.78
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.7
FBC		A,B	2B9A	0.76
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
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.74
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.8
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.74
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.75
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.73
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.73
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.73
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.73
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.74
DHR	(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE	A,B	1E55	0.7
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.74
26C		A,B	2F7I	0.76
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.7
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.7
ANF	ANTHRONE	H	2BJM	0.73
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A	1BW7	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,T	2VA3	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,F	2V9W	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,E,F	2VA2	0.72
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	1,2	1EEK	0.72
FFD	(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol	A,B,C,D,E,F, G,H,I,J,K,L	2PIS	0.73
SMN	(S)-MANDELIC ACID	A	1MDL	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.84
SS1	1-PHENYLETHANOL	H	1UM5	0.85
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.74
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.74
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.74
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.74
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.74
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.82
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.8
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.81
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.75
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.75
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.8
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.75
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.85
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.85
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.74
ETY	4-ethylphenol	A,B,C,D	2RA6	0.72
1NP	1-NAPHTHOL	X	2ZVQ	0.73
RMN	(R)-MANDELIC ACID	A	1MDL	0.73
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.73
2LP	2-ALLYLPHENOL	A	1OV5	0.74
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.74
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.78
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.78
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.78
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.71
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.75
PCR	P-CRESOL	A	1JHV	0.7
PCR	P-CRESOL	A	1JHU	0.7
PCR	P-CRESOL	A,B,C,D	1DIQ	0.7
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.76
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
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.74
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.73
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.73
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.74
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
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.76
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B	2G92	0.71
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B,C,D	2Q1O	0.71
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
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.75
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.72
STL	RESVERATROL	A,B	3CKL	0.7
STL	RESVERATROL	A,B,C,D	1U0W	0.7
STL	RESVERATROL	A	1CGZ	0.7
STL	RESVERATROL	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JIZ	0.7
STL	RESVERATROL	A	1Z1F	0.7
STL	RESVERATROL	A	1DVS	0.7
STL	RESVERATROL	A,B	1SG0	0.7
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.78
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.78
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.78
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.78
PEL	2-PHENYL-ETHANOL	A	1EYW	0.78
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.78
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.85
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.85
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.85
4FC		A	1YSG	0.75
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.72
CRS	M-CRESOL	A,B,C,D	1EV3	0.71
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.71
CRS	M-CRESOL	A,B	1UZ9	0.71
CRS	M-CRESOL	A,B,C,D	1ZEH	0.71
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.71
CRS	M-CRESOL	A,C,D,E	7INS	0.71
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.71