MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02875624

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
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.71
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.71
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.71
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.77
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.76
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.75
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	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
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.75
4BZ	4-(HYDROXYMETHYL)BENZAMIDINE	A	1S6H	0.72
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
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.8
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.72
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.74
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.7
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.81
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.75
DHR	(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE	A,B	1E55	0.7
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.72
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.73
555	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME	A,B	2NV7	0.72
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.76
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.76
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.76
DRQ	(9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL	A,B	2G5O	0.7
IBP	IBUPROFEN	A	3FKX	0.7
IBP	IBUPROFEN	A,B	2BXG	0.7
IBP	IBUPROFEN	A,B	1EQG	0.7
IBP	IBUPROFEN	A,B,C	2WD9	0.7
IBP	IBUPROFEN	A	2PWS	0.7
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
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
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.73
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.73
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.73
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.73
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.73
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.73
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.73
SMN	(S)-MANDELIC ACID	A	1MDL	0.73
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.75
B28		A,B	2E9A	0.72
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.77
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.77
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.71
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
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.77
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.77
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.77
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.77
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.72
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.72
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.75
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
ANF	ANTHRONE	H	2BJM	0.74
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.77
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.77
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.77
26C		A,B	2F7I	0.75
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.75
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.88
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.76
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.73
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.74
ETY	4-ethylphenol	A,B,C,D	2RA6	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.73
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.82
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
B08		A,B	2E99	0.71
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.78
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
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.77
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.77
SS1	1-PHENYLETHANOL	H	1UM5	0.81
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.78
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.85
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.76
1NP	1-NAPHTHOL	X	2ZVQ	0.75
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.71
FBC		A,B	2B9A	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.76
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.72
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.74
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.77
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.77
2LP	2-ALLYLPHENOL	A	1OV5	0.72
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.72
BFL		A,B	1Q4G	0.74
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
341	(3,5-difluorophenyl)methanol	C	3EON	0.76
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
4FC		A	1YSG	0.75
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.72
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.78