MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008180

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
OXE	ORTHO-XYLENE	A,B	3E0X	0.75
OXE	ORTHO-XYLENE	A	188L	0.75
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.77
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.73
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.73
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.73
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.73
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.73
ETY	4-ethylphenol	A,B,C,D	2RA6	0.76
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.83
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.72
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.75
CRS	M-CRESOL	A,B,C,D	1EV3	0.73
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.73
CRS	M-CRESOL	A,B	1UZ9	0.73
CRS	M-CRESOL	A,B,C,D	1ZEH	0.73
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.73
CRS	M-CRESOL	A,C,D,E	7INS	0.73
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.73
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.72
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.72
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.72
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.72
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.77
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.77
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.77
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.77
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.77
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.77
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.83
BDB		A,B	1KE3	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.77
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.72
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.72
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.84
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.77
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.72
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.72
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.83
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.8
PHL	L-PHENYLALANINOL	A,B	1JOH	0.8
PHL	L-PHENYLALANINOL	I	3APR	0.8
PHL	L-PHENYLALANINOL	A	1DLZ	0.8
PHL	L-PHENYLALANINOL	A	1IH9	0.8
PHL	L-PHENYLALANINOL	A	1OB4	0.8
PHL	L-PHENYLALANINOL	I	2ER6	0.8
PHL	L-PHENYLALANINOL	A	1R9U	0.8
PHL	L-PHENYLALANINOL	A	1OB7	0.8
PHL	L-PHENYLALANINOL	A,B	1OB6	0.8
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.8
PAC	2-PHENYLACETIC ACID	B	1PNL	0.81
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.81
PAC	2-PHENYLACETIC ACID	B	1FXH	0.81
PAC	2-PHENYLACETIC ACID	A	2ISF	0.81
PAC	2-PHENYLACETIC ACID	A	2INE	0.81
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.75
791	2-PHENYLMALONIC ACID	A	1O4P	0.74
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.73
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.77
DEN	INDENE	A	183L	0.72
B28		A,B	2E9A	0.72
FPR	PROPYLBENZENE	C	1RHK	0.77
SS1	1-PHENYLETHANOL	H	1UM5	0.89
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.93
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.8
I4B	ISOBUTYLBENZENE	A	184L	0.75
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.72
MBN	TOLUENE	A,B	3D7O	0.74
MBN	TOLUENE	A,B	1R1X	0.74
MBN	TOLUENE	A,B	1JLX	0.74
MBN	TOLUENE	A,B,C,D	3D17	0.74
MBN	TOLUENE	A,B	2VRL	0.74
MBN	TOLUENE	A,I	2Z3E	0.74
MBN	TOLUENE	A,B	1YZI	0.74
MBN	TOLUENE	A,B	2DN1	0.74
MBN	TOLUENE	A,B	3EN1	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.83
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.83
PXY	PARA-XYLENE	A	187L	0.74
PXY	PARA-XYLENE	A	225L	0.74
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
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	0.74
B08		A,B	2E99	0.73
SMN	(S)-MANDELIC ACID	A	1MDL	0.75
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
DHR	(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE	A,B	1E55	0.72
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.76
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	0.8
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.8
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	0.8
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	0.8
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.8
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.8
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.8
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.8
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.74
341	(3,5-difluorophenyl)methanol	C	3EON	0.83
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.73
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.73
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.8
HCI	HYDROCINNAMIC ACID	A	1TOI	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.8
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.8
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.73
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.8
TA2	(2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL	A,B	2IFR	0.74
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.84
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.84
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.73
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.77
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.77
RMN	(R)-MANDELIC ACID	A	1MDL	0.75
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.75
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.89
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.7
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.7
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.7
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.86
HPH	PHENYLALANINDIOL	I	1E5O	0.76
HPH	PHENYLALANINDIOL	A,B	1ODX	0.76
HPH	PHENYLALANINDIOL	A,B	1MTB	0.76
HPH	PHENYLALANINDIOL	A,B	2FGV	0.76
HPH	PHENYLALANINDIOL	A	1ODW	0.76
HPH	PHENYLALANINDIOL	A,B	2FGU	0.76
HPH	PHENYLALANINDIOL	A,B	1HXB	0.76
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.74
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.79
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.79
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.81
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.74
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.74
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.79
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.79
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.79
PHK	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL	A	1MU0	0.71
PHK	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL	A	1XRL	0.71
PCR	P-CRESOL	A	1JHV	0.74
PCR	P-CRESOL	A	1JHU	0.74
PCR	P-CRESOL	A,B,C,D	1DIQ	0.74
IBP	IBUPROFEN	A	3FKX	0.76
IBP	IBUPROFEN	A,B	2BXG	0.76
IBP	IBUPROFEN	A,B	1EQG	0.76
IBP	IBUPROFEN	A,B,C	2WD9	0.76
IBP	IBUPROFEN	A	2PWS	0.76
PEL	2-PHENYL-ETHANOL	A,B	1I0D	1
PEL	2-PHENYL-ETHANOL	D,H	2I0T	1
PEL	2-PHENYL-ETHANOL	A,B	1HZY	1
PEL	2-PHENYL-ETHANOL	A,B	1I0B	1
PEL	2-PHENYL-ETHANOL	A	1EYW	1
PEL	2-PHENYL-ETHANOL	A,B	1JGM	1
2LP	2-ALLYLPHENOL	A	1OV5	0.78
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.71
N4B	N-BUTYLBENZENE	A	186L	0.77
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.79
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.7
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.71
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.78
PYL	PHENYLETHANE	C	1B07	0.77
PYL	PHENYLETHANE	A,B	2VRM	0.77
PYL	PHENYLETHANE	A	1NHB	0.77
3PL	3-PHENYLPROPANAL	E	1Y3G	0.74
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.96
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.71
BFL		A,B	1Q4G	0.74
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.89
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.89
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.89