MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008401

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
SS1	1-PHENYLETHANOL	H	1UM5	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.73
BFL		A,B	1Q4G	0.76
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.71
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.7
B28		A,B	2E9A	0.74
791	2-PHENYLMALONIC ACID	A	1O4P	0.7
BDB		A,B	1KE3	0.73
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	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
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
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.71
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.71
341	(3,5-difluorophenyl)methanol	C	3EON	0.72
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.7
EST	ESTRADIOL	A,B	1GWR	0.74
EST	ESTRADIOL	A	1FDS	0.74
EST	ESTRADIOL	A,B,C	1G50	0.74
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.74
EST	ESTRADIOL	A,B	1A52	0.74
EST	ESTRADIOL	A	1FDT	0.74
EST	ESTRADIOL	A	2OCF	0.74
EST	ESTRADIOL	A,B,C	1QKU	0.74
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.74
EST	ESTRADIOL	A	1IOL	0.74
EST	ESTRADIOL	H	1JNN	0.74
EST	ESTRADIOL	B	1QKT	0.74
EST	ESTRADIOL	A	1FDW	0.74
EST	ESTRADIOL	A,B	1AQU	0.74
EST	ESTRADIOL	A	1LHU	0.74
EST	ESTRADIOL	A	1A27	0.74
EST	ESTRADIOL	L	1JGL	0.74
EST	ESTRADIOL	A,B,E,F	1PCG	0.74
EST	ESTRADIOL	A,B,C,D	1FDU	0.74
EST	ESTRADIOL	A	2J7X	0.74
EST	ESTRADIOL	A,B	2D06	0.74
B08		A,B	2E99	0.75
DRQ	(9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL	A,B	2G5O	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
IBP	IBUPROFEN	A	3FKX	0.72
IBP	IBUPROFEN	A,B	2BXG	0.72
IBP	IBUPROFEN	A,B	1EQG	0.72
IBP	IBUPROFEN	A,B,C	2WD9	0.72
IBP	IBUPROFEN	A	2PWS	0.72
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.82
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.73
FLP	FLURBIPROFEN	A,B	1CQE	0.73
FLP	FLURBIPROFEN	A,B	1EQH	0.73
FLP	FLURBIPROFEN	A,B	2AYL	0.73
FLP	FLURBIPROFEN	A	1DVT	0.73
FLP	FLURBIPROFEN	A	1R9O	0.73
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.7
1NP	1-NAPHTHOL	X	2ZVQ	0.71
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.81
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.73
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
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.72
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.77
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.77
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.77
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.85
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.85
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.85
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.85
PEL	2-PHENYL-ETHANOL	A	1EYW	0.85
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.85
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.75
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.74
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.73
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.72
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.7
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.71
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.71
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.71
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.8
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.77
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.71
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.71
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.74
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.71
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.71
EED	(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL	A,B	2QGT	0.71
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.77
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.71
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.76
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.82
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.71
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.72
E3O	(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL	A	2J7Y	0.72
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.72
ESL	ESTRIOL	A	1X8V	0.72