MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02676444

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
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.77
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.72
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.83
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.72
B28		A,B	2E9A	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.95
B08		A,B	2E99	0.72
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.82
DRQ	(9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL	A,B	2G5O	0.75
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.73
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.72
341	(3,5-difluorophenyl)methanol	C	3EON	0.73
555	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME	A,B	2NV7	0.73
1NP	1-NAPHTHOL	X	2ZVQ	0.8
226	naphthalene-1,2,4,5,7-pentol	A,B	2NZ5	0.73
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.77
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.77
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.77
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.77
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.77
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.77
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.77
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.76
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.74
4FC		A	1YSG	0.71
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.71
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.8
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.76
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.76
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.73
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.73
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.73
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.73
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.72
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.71
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.77
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.72
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.77
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.74
2LP	2-ALLYLPHENOL	A	1OV5	0.71
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.82
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.73
EST	ESTRADIOL	A,B	1GWR	0.74
EST	ESTRADIOL	A	1FDS	0.74
EST	ESTRADIOL	A,B,C	1G50	0.74
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.74
EST	ESTRADIOL	A,B	1A52	0.74
EST	ESTRADIOL	A	1FDT	0.74
EST	ESTRADIOL	A	2OCF	0.74
EST	ESTRADIOL	A,B,C	1QKU	0.74
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.74
EST	ESTRADIOL	A	1IOL	0.74
EST	ESTRADIOL	H	1JNN	0.74
EST	ESTRADIOL	B	1QKT	0.74
EST	ESTRADIOL	A	1FDW	0.74
EST	ESTRADIOL	A,B	1AQU	0.74
EST	ESTRADIOL	A	1LHU	0.74
EST	ESTRADIOL	A	1A27	0.74
EST	ESTRADIOL	L	1JGL	0.74
EST	ESTRADIOL	A,B,E,F	1PCG	0.74
EST	ESTRADIOL	A,B,C,D	1FDU	0.74
EST	ESTRADIOL	A	2J7X	0.74
EST	ESTRADIOL	A,B	2D06	0.74
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.7
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.72
EED	(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL	A,B	2QGT	0.72
EQU	EQUILENIN	A,B	1OGX	0.7
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.7
EQU	EQUILENIN	A,B	1OH0	0.7
EQU	EQUILENIN	A	1W6Y	0.7
EQU	EQUILENIN	A,B	1CQS	0.7
EQU	EQUILENIN	A	1OGZ	0.7
EQU	EQUILENIN	A	1GS3	0.7
EQU	EQUILENIN	A	1OHO	0.7
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
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.7
196	3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE	A,B	1YYE	0.74
4NA	1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL	A,B	1YY4	0.72
SMN	(S)-MANDELIC ACID	A	1MDL	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	0.72
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.76
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.9
E3O	(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL	A	2J7Y	0.75
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.75
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.75
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.73
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.9
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.9
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.7
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.7
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.76
ESL	ESTRIOL	A	1X8V	0.75
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	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.78
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.78
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.73
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.9
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.9
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.9
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.7
ECS	2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE	A,B,C,D	2BW7	0.73
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.9
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.9
FBC		A,B	2B9A	0.7
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.88
YR3	(2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol	A	2ZFX	0.7
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.74
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.74
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.72
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.79
RMN	(R)-MANDELIC ACID	A	1MDL	0.75
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.75
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZS	0.78
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZL	0.78
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.74
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.72
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.79
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
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.88
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.88
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.88
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.88
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.88
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.88
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.88
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.88
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.88
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.88
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.88
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.71
LZ2	5-hydroxynaphthalene-1-sulfonamide	A	2VTH	0.7
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.8
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.74
SS1	1-PHENYLETHANOL	H	1UM5	0.82
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.88
26C		A,B	2F7I	0.7
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.71
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.71
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.75
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.75
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.7
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.77
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.9
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.72
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.7
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.71
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.86
ANF	ANTHRONE	H	2BJM	0.82