MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021674

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
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.74
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.71
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.82
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.82
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.79
1LP	TRANYLCYPROMINE	A,B	1OJB	0.76
I4B	ISOBUTYLBENZENE	A	184L	0.77
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.73
HCI	HYDROCINNAMIC ACID	A	1TOI	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.73
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.8
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.8
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.8
BDB		A,B	1KE3	0.73
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.76
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.76
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.76
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.76
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.71
N4B	N-BUTYLBENZENE	A	186L	0.79
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.72
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.71
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.79
VK3	MENADIONE	A	1TUV	0.81
VK3	MENADIONE	A,B	2QR2	0.81
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.72
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.77
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.77
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.77
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.77
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.77
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.73
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.73
OXE	ORTHO-XYLENE	A,B	3E0X	0.77
OXE	ORTHO-XYLENE	A	188L	0.77
PYL	PHENYLETHANE	C	1B07	0.79
PYL	PHENYLETHANE	A,B	2VRM	0.79
PYL	PHENYLETHANE	A	1NHB	0.79
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.73
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.79
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.81
AC0	1-PHENYLETHANONE	A	1ZK1	0.88
AC0	1-PHENYLETHANONE	A	1ZK4	0.88
3PL	3-PHENYLPROPANAL	E	1Y3G	0.78
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.73
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.76
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.76
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.76
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.76
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.76
PXY	PARA-XYLENE	A	187L	0.79
PXY	PARA-XYLENE	A	225L	0.79
MBN	TOLUENE	A,B	3D7O	0.79
MBN	TOLUENE	A,B	1R1X	0.79
MBN	TOLUENE	A,B	1JLX	0.79
MBN	TOLUENE	A,B,C,D	3D17	0.79
MBN	TOLUENE	A,B	2VRL	0.79
MBN	TOLUENE	A,I	2Z3E	0.79
MBN	TOLUENE	A,B	1YZI	0.79
MBN	TOLUENE	A,B	2DN1	0.79
MBN	TOLUENE	A,B	3EN1	0.79
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.76
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.76
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.76
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.76
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.76
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.76
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.76
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.76
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.76
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.76
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.76
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.72
PAC	2-PHENYLACETIC ACID	B	1PNL	0.7
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.7
PAC	2-PHENYLACETIC ACID	B	1FXH	0.7
PAC	2-PHENYLACETIC ACID	A	2ISF	0.7
PAC	2-PHENYLACETIC ACID	A	2INE	0.7
DEN	INDENE	A	183L	0.71
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.76
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
HBX	benzaldehyde	A,B	3GDN	0.78
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.7
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.73
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.76
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.72
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.72
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.84
FPR	PROPYLBENZENE	C	1RHK	0.79