MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03000096

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
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.75
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
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	0.72
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.73
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
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.76
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
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.74
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.74
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.82
ETY	4-ethylphenol	A,B,C,D	2RA6	0.71
BDB		A,B	1KE3	0.74
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
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.75
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
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.76
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
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
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.79
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.76
AN3	ANTHRACENE	A,B	2HMN	0.71
AN3	ANTHRACENE	A,B	2HMM	0.71
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
ANF	ANTHRONE	H	2BJM	0.75
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
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
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.79
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.79
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.79
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.79
PEL	2-PHENYL-ETHANOL	A	1EYW	0.79
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.79
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.7
2LP	2-ALLYLPHENOL	A	1OV5	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
2MP	3,4-DIMETHYLPHENOL	A	1L5O	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
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.73
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
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.75
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
PEY	PHENANTHRENE	A,B	2HML	0.71
PEY	PHENANTHRENE	A,B	2HMK	0.71
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.81
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.71
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.71
BFL		A,B	1Q4G	0.78
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.73
1NP	1-NAPHTHOL	X	2ZVQ	0.73
B28		A,B	2E9A	0.82
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
SS1	1-PHENYLETHANOL	H	1UM5	0.76
B08		A,B	2E99	0.81
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.77
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.78
OX1		H,Y	1LO2	0.72
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.7
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.71
OXE	ORTHO-XYLENE	A	188L	0.71
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
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
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.78
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.71
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.78
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
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.77
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.77
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.77
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.77