MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213993

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	0.72
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.75
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.73
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.77
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.76
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.72
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.73
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.81
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.73
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.73
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.73
OBP		A,B	2DE3	0.7
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	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.7
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	0.7
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	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.7
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.8
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.8
341	(3,5-difluorophenyl)methanol	C	3EON	0.72
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.72
BPM	4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN	A	1AAX	0.73
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.76
SMN	(S)-MANDELIC ACID	A	1MDL	0.73
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.72
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.72
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.72
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
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.72
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.76
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.76
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.76
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.76
PEL	2-PHENYL-ETHANOL	A	1EYW	0.76
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.76
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.7
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.72
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.72
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.72
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.76
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.73
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.8
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.76
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.76
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.76
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.76
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.76
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.76
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
ETY	4-ethylphenol	A,B,C,D	2RA6	0.7
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.73
RMN	(R)-MANDELIC ACID	A	1MDL	0.73
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.73
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.71
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.73
SS1	1-PHENYLETHANOL	H	1UM5	0.81
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.73
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.7
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.8
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.74
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
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.77
BDB		A,B	1KE3	0.71
2LP	2-ALLYLPHENOL	A	1OV5	0.72
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.72
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.81
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.74
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.72