MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02347973

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
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.77
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.72
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
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
BDB		A,B	1KE3	0.74
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.73
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
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.74
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.72
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.72
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.72
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.72
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.72
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.72
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.77
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.77
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.77
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.77
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.77
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.72
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.79
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.72
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.8
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.76
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.71
SS1	1-PHENYLETHANOL	H	1UM5	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.7
HCI	HYDROCINNAMIC ACID	A	1TOI	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.7
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.7
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.72
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.73
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.73
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.72
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.71
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.76
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
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
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.73
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.77
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.75
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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	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	0.72
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
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	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.78
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.75
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
BFL		A,B	1Q4G	0.78
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
791	2-PHENYLMALONIC ACID	A	1O4P	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.76
FLP	FLURBIPROFEN	A,B	1CQE	0.76
FLP	FLURBIPROFEN	A,B	1EQH	0.76
FLP	FLURBIPROFEN	A,B	2AYL	0.76
FLP	FLURBIPROFEN	A	1DVT	0.76
FLP	FLURBIPROFEN	A	1R9O	0.76
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.76
B28		A,B	2E9A	0.83
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.75
OX1		H,Y	1LO2	0.72
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.77
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.77
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.77
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.77
PEL	2-PHENYL-ETHANOL	A	1EYW	0.77
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.77
1NP	1-NAPHTHOL	X	2ZVQ	0.72
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.73
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.71
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.71
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.8
IBP	IBUPROFEN	A	3FKX	0.76
IBP	IBUPROFEN	A,B	2BXG	0.76
IBP	IBUPROFEN	A,B	1EQG	0.76
IBP	IBUPROFEN	A,B,C	2WD9	0.76
IBP	IBUPROFEN	A	2PWS	0.76
B08		A,B	2E99	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.74
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.71
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.71
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.71
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.71
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
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
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.72
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.77
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.77
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72