MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02241718

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
ANF	ANTHRONE	H	2BJM	0.7
BFL		A,B	1Q4G	0.81
MBN	TOLUENE	A,B	3D7O	0.7
MBN	TOLUENE	A,B	1R1X	0.7
MBN	TOLUENE	A,B	1JLX	0.7
MBN	TOLUENE	A,B,C,D	3D17	0.7
MBN	TOLUENE	A,B	2VRL	0.7
MBN	TOLUENE	A,I	2Z3E	0.7
MBN	TOLUENE	A,B	1YZI	0.7
MBN	TOLUENE	A,B	2DN1	0.7
MBN	TOLUENE	A,B	3EN1	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
FPR	PROPYLBENZENE	C	1RHK	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.78
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.74
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.81
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.71
OXE	ORTHO-XYLENE	A,B	3E0X	0.73
OXE	ORTHO-XYLENE	A	188L	0.73
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.73
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.74
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.8
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.78
FLP	FLURBIPROFEN	A,B	1CQE	0.78
FLP	FLURBIPROFEN	A,B	1EQH	0.78
FLP	FLURBIPROFEN	A,B	2AYL	0.78
FLP	FLURBIPROFEN	A	1DVT	0.78
FLP	FLURBIPROFEN	A	1R9O	0.78
AED	4-(2-aminoethyl)-2-cyclohexylphenol	A	3BUH	0.71
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.72
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.72
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.72
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.72
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.72
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.72
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.72
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.72
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.74
B08		A,B	2E99	0.78
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.77
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.77
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.77
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.72
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.77
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.74
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.74
HCI	HYDROCINNAMIC ACID	A	1TOI	0.74
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.74
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.74
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.79
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.73
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.73
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.81
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.73
PAC	2-PHENYLACETIC ACID	B	1PNL	0.76
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.76
PAC	2-PHENYLACETIC ACID	B	1FXH	0.76
PAC	2-PHENYLACETIC ACID	A	2ISF	0.76
PAC	2-PHENYLACETIC ACID	A	2INE	0.76
CRS	M-CRESOL	A,B,C,D	1EV3	0.72
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.72
CRS	M-CRESOL	A,B	1UZ9	0.72
CRS	M-CRESOL	A,B,C,D	1ZEH	0.72
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.72
CRS	M-CRESOL	A,C,D,E	7INS	0.72
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.72
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.72
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.7
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.74
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	0.75
178	4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL	A,B	1TVE	0.7
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.75
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.7
BDB		A,B	1KE3	0.77
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.81
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.72
B28		A,B	2E9A	0.77
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.71
791	2-PHENYLMALONIC ACID	A	1O4P	0.75
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.7
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.72
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.77
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.78
NPY	NAPHTHALENE	A,B	1O7G	0.7
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.81
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.76
IBP	IBUPROFEN	A	3FKX	0.8
IBP	IBUPROFEN	A,B	2BXG	0.8
IBP	IBUPROFEN	A,B	1EQG	0.8
IBP	IBUPROFEN	A,B,C	2WD9	0.8
IBP	IBUPROFEN	A	2PWS	0.8
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.73
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.7
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.81
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
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.8
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.8
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.8
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.76
2LP	2-ALLYLPHENOL	A	1OV5	0.75
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.7
I4B	ISOBUTYLBENZENE	A	184L	0.76
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.75
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.73
SS1	1-PHENYLETHANOL	H	1UM5	0.81
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.72
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.72
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
N4B	N-BUTYLBENZENE	A	186L	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	0.71
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
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.78
1NP	1-NAPHTHOL	X	2ZVQ	0.72
ETY	4-ethylphenol	A,B,C,D	2RA6	0.75
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.71
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.76
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.73
PCR	P-CRESOL	A	1JHV	0.73
PCR	P-CRESOL	A	1JHU	0.73
PCR	P-CRESOL	A,B,C,D	1DIQ	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.72
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.73
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.77
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.77
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.77
341	(3,5-difluorophenyl)methanol	C	3EON	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.72
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.72
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.73
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.7