MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02864826

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
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.73
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.73
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.73
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
BFL		A,B	1Q4G	0.76
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.7
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.7
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.7
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.73
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.73
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.73
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.72
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.73
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.73
B28		A,B	2E9A	0.74
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
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.77
IBP	IBUPROFEN	A	3FKX	0.74
IBP	IBUPROFEN	A,B	2BXG	0.74
IBP	IBUPROFEN	A,B	1EQG	0.74
IBP	IBUPROFEN	A,B,C	2WD9	0.74
IBP	IBUPROFEN	A	2PWS	0.74
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.71
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.8
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.8
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.75
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.75
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.75
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.75
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.75
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.75
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.75
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.72
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.75
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.75
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.82
FPR	PROPYLBENZENE	C	1RHK	0.7
B08		A,B	2E99	0.75
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.77
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.73
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
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.72
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.72
341	(3,5-difluorophenyl)methanol	C	3EON	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.75
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.75
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.75
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.75
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.75
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.75
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.75
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.72
HCI	HYDROCINNAMIC ACID	A	1TOI	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.72
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.73
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	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.72
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	0.72
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	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	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	0.71
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.7
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.74
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.71
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.75
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.72
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.84
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.84
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.84
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.84
PEL	2-PHENYL-ETHANOL	A	1EYW	0.84
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.84
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.71
1LP	TRANYLCYPROMINE	A,B	1OJB	0.7
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.73
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.75
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.79
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
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.72
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.77
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.72
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.72
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.79
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.74
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.74
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.71
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.74
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.72
PHL	L-PHENYLALANINOL	A,B	1JOH	0.72
PHL	L-PHENYLALANINOL	I	3APR	0.72
PHL	L-PHENYLALANINOL	A	1DLZ	0.72
PHL	L-PHENYLALANINOL	A	1IH9	0.72
PHL	L-PHENYLALANINOL	A	1OB4	0.72
PHL	L-PHENYLALANINOL	I	2ER6	0.72
PHL	L-PHENYLALANINOL	A	1R9U	0.72
PHL	L-PHENYLALANINOL	A	1OB7	0.72
PHL	L-PHENYLALANINOL	A,B	1OB6	0.72
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.72
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
SS1	1-PHENYLETHANOL	H	1UM5	0.82
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.71
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.74
PYL	PHENYLETHANE	C	1B07	0.7
PYL	PHENYLETHANE	A,B	2VRM	0.7
PYL	PHENYLETHANE	A	1NHB	0.7
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
BDB		A,B	1KE3	0.76
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.72
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.72
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
N4B	N-BUTYLBENZENE	A	186L	0.7
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.79
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.83
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.71