MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02859406

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
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.75
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.78
791	2-PHENYLMALONIC ACID	A	1O4P	0.72
IBP	IBUPROFEN	A	3FKX	0.75
IBP	IBUPROFEN	A,B	2BXG	0.75
IBP	IBUPROFEN	A,B	1EQG	0.75
IBP	IBUPROFEN	A,B,C	2WD9	0.75
IBP	IBUPROFEN	A	2PWS	0.75
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.8
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.8
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.8
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.8
PEL	2-PHENYL-ETHANOL	A	1EYW	0.8
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.8
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.74
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.74
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
BDB		A,B	1KE3	0.75
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.78
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.74
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.74
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.74
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.72
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.72
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.72
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	0.72
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.74
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.74
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.74
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.73
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.73
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.74
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.76
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.79
B08		A,B	2E99	0.84
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.72
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.75
FLP	FLURBIPROFEN	A,B	1CQE	0.75
FLP	FLURBIPROFEN	A,B	1EQH	0.75
FLP	FLURBIPROFEN	A,B	2AYL	0.75
FLP	FLURBIPROFEN	A	1DVT	0.75
FLP	FLURBIPROFEN	A	1R9O	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.7
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.7
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.7
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.72
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.81
SS1	1-PHENYLETHANOL	H	1UM5	0.75
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.71
ANF	ANTHRONE	H	2BJM	0.74
OX1		H,Y	1LO2	0.71
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.75
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.75
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.76
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.76
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.78
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.76
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.76
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.76
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.76
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.71
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.71
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.71
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.76
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.72
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.75
BFL		A,B	1Q4G	0.77
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.74
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.74
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.77
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
B28		A,B	2E9A	0.83
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.74
PEY	PHENANTHRENE	A,B	2HML	0.72
PEY	PHENANTHRENE	A,B	2HMK	0.72
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.71
HCI	HYDROCINNAMIC ACID	A	1TOI	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.71
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.71
1NP	1-NAPHTHOL	X	2ZVQ	0.72
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.7
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.71
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.71
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.75
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.71
2LP	2-ALLYLPHENOL	A	1OV5	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.71
AN3	ANTHRACENE	A,B	2HMN	0.72
AN3	ANTHRACENE	A,B	2HMM	0.72
NPY	NAPHTHALENE	A,B	1O7G	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.74
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