MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865569

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
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.82
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.7
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.83
NPY	NAPHTHALENE	A,B	1O7G	0.74
B08		A,B	2E99	0.77
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.7
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.78
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.72
FLP	FLURBIPROFEN	A,B	1CQE	0.72
FLP	FLURBIPROFEN	A,B	1EQH	0.72
FLP	FLURBIPROFEN	A,B	2AYL	0.72
FLP	FLURBIPROFEN	A	1DVT	0.72
FLP	FLURBIPROFEN	A	1R9O	0.72
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.71
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.78
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.78
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.78
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.78
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
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.89
SS1	1-PHENYLETHANOL	H	1UM5	0.74
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.78
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.78
ANF	ANTHRONE	H	2BJM	0.75
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.72
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.78
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.78
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.78
IBP	IBUPROFEN	A	3FKX	0.7
IBP	IBUPROFEN	A,B	2BXG	0.7
IBP	IBUPROFEN	A,B	1EQG	0.7
IBP	IBUPROFEN	A,B,C	2WD9	0.7
IBP	IBUPROFEN	A	2PWS	0.7
BDB		A,B	1KE3	0.72
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.74
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.81
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.81
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.81
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.81
PEL	2-PHENYL-ETHANOL	A	1EYW	0.81
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.81
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.78
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.76
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.76
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
AN3	ANTHRACENE	A,B	2HMN	0.73
AN3	ANTHRACENE	A,B	2HMM	0.73
PEY	PHENANTHRENE	A,B	2HML	0.73
PEY	PHENANTHRENE	A,B	2HMK	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.84
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.84
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.76
HPH	PHENYLALANINDIOL	I	1E5O	0.71
HPH	PHENYLALANINDIOL	A,B	1ODX	0.71
HPH	PHENYLALANINDIOL	A,B	1MTB	0.71
HPH	PHENYLALANINDIOL	A,B	2FGV	0.71
HPH	PHENYLALANINDIOL	A	1ODW	0.71
HPH	PHENYLALANINDIOL	A,B	2FGU	0.71
HPH	PHENYLALANINDIOL	A,B	1HXB	0.71
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.71
1NP	1-NAPHTHOL	X	2ZVQ	0.75
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.77
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	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.71
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	0.71
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	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.71
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.76
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.75
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.74
B28		A,B	2E9A	0.76
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.78
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.73
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
BFL		A,B	1Q4G	0.74
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.71